CH577452A5 - Flavouring cpds., from 2-methyl-3-(cyclopent-1-en-1-ul)-propanol - itself prepd. by cyclisation of 2,6-dimethyl-oct-2-en-7-yne-6-ol and addn. of ethoxy-prop-1-ene - Google Patents

Flavouring cpds., from 2-methyl-3-(cyclopent-1-en-1-ul)-propanol - itself prepd. by cyclisation of 2,6-dimethyl-oct-2-en-7-yne-6-ol and addn. of ethoxy-prop-1-ene

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Publication number
CH577452A5
CH577452A5 CH1609375A CH1609375A CH577452A5 CH 577452 A5 CH577452 A5 CH 577452A5 CH 1609375 A CH1609375 A CH 1609375A CH 1609375 A CH1609375 A CH 1609375A CH 577452 A5 CH577452 A5 CH 577452A5
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Switzerland
Prior art keywords
methyl
compound
formula
hydrogenation
cyclopent
Prior art date
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CH1609375A
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French (fr)
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Firmenich & Cie
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Priority to CH1609375A priority Critical patent/CH577452A5/en
Publication of CH577452A5 publication Critical patent/CH577452A5/en

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    • CCHEMISTRY; METALLURGY
    • C07ORGANIC CHEMISTRY
    • C07CACYCLIC OR CARBOCYCLIC COMPOUNDS
    • C07C33/00Unsaturated compounds having hydroxy or O-metal groups bound to acyclic carbon atoms
    • C07C33/05Alcohols containing rings other than six-membered aromatic rings
    • CCHEMISTRY; METALLURGY
    • C07ORGANIC CHEMISTRY
    • C07CACYCLIC OR CARBOCYCLIC COMPOUNDS
    • C07C45/00Preparation of compounds having >C = O groups bound only to carbon or hydrogen atoms; Preparation of chelates of such compounds
    • C07C45/51Preparation of compounds having >C = O groups bound only to carbon or hydrogen atoms; Preparation of chelates of such compounds by pyrolysis, rearrangement or decomposition
    • C07C45/511Preparation of compounds having >C = O groups bound only to carbon or hydrogen atoms; Preparation of chelates of such compounds by pyrolysis, rearrangement or decomposition involving transformation of singly bound oxygen functional groups to >C = O groups
    • C07C45/513Preparation of compounds having >C = O groups bound only to carbon or hydrogen atoms; Preparation of chelates of such compounds by pyrolysis, rearrangement or decomposition involving transformation of singly bound oxygen functional groups to >C = O groups the singly bound functional group being an etherified hydroxyl group

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  • Chemical & Material Sciences (AREA)
  • Organic Chemistry (AREA)
  • Organic Low-Molecular-Weight Compounds And Preparation Thereof (AREA)

Abstract

Title cpds of formula (I): (where represents a single or double bond, n=0 or 1 and X=-CHO, -CH-OR, -CH2OR', -CH-O where R=1-6C alkyl and R'=H or 1-6C acyl) are used as, and as inters for perfumes and flavouring agents in e.g. food and pharmaceutical prods.

Description

       

  
 



  Les composés alicycliques de formule
EMI1.1     
 dans laquelle le symbole R représente un reste acyle contenant de 1 à 6 atomes de carbone sont des composés nouveaux, appréciés dans l'industrie des parfums comme dans celle des arômes pour leurs propriétés organoleptiques (voir à ce sujet le brevet suisse   N"    566113).



   La présente invention a pour objet un procédé pour la préparation des composés I tels que définis ci-dessus, ledit procédé étant caractérisé en ce qu'on réduit la fonction aldéhydique d'un composé de formule:
EMI1.2     
 pour obtenir un composé de formule:
EMI1.3     
 qu'on soumet ensuite l'alcool ainsi obtenu à une hydrogénation catalytique et subséquemment traite le produit résultant de ladite hydrogénation au moyen d'un agent estérifiant de formule:
 R'-CO-X (IV) dans laquelle le symbole X représente un atome   d'halogéne    et R' un atome d'hydrogéne ou un reste alkyle contenant de 1 à 5 atomes de carbone.



   La réduction de la fonction aldéhydique du composé   II,    première étape réactionnelle du procédé de l'invention, peut s'effectuer au moyen de réactifs communément utilisés en chimie organique afin de convertir une fonction aldéhydique en fonction alcool primaire (voir à ce sujet H. O. House, Modern Synthetic
Reactions, Benjamin Inc., 1965, p. 23 et suivantes). On peut utiliser à cet effet un aluminohydrure de métal alcalin tel que l'aluminohydrure de lithium ou sodium par exemple.



   Le produit résultant de la réduction ci-dessus est un alcool primaire de formule:
EMI1.4     

 Selon l'invention, cet alcool est ensuite soumis à une hydrogénation catalytique, le produit résultant de ladite hydrogénation étant finalement estérifié pour donner le composé I.



   L'hydrogénation du composé III consiste en fait à transformer le groupe isopropényle rattaché au cycle à 5 membres en un groupe isopropyle. Ladite hydrogénation peut s'effectuer en présence de catalyseurs métalliques communément utilisés en chimie organique (voir à ce sujet H. O. House, op. cit., p. 1 et suivantes), par exemple de platine, palladium, rhodium ou nickel.



  On utilise de préférence le nickel de Raney, I'oxyde de platine ou le palladium adsorbé sur charbon actif.



   Ladite hydrogénation s'effectue en outre en présence d'un solvant organique inerte, tel un éther comme le dioxanne ou le tétrahydrofuranne, un hydrocarbure aliphatique ou aromatique, ou encore un alcool aliphatique tel le méthanol, l'éthanol, l'isopropanol ou le t-butanol par exemple.



   L'estérification subséquente peut s'effectuer selon les techniques usuelles, en traitant par exemple le produit résultant de l'hydrogénation du composé III au moyen d'un halogénure d'acyle, en présence d'une base organique telle que la diéthylaniline ou la triéthylamine par exemple. C'est ainsi qu'on pourra préparer le formiate, I'acétate, le propionate, le butyrate ou l'isobutyrate par exemple.



   L'aldéhyde alicyclique de formule   II,    utilisé comme produit de départ selon le procédé de l'invention, peut être obtenu comme indiqué   ci-aprés:   
EMI1.5     


<tb> i <SEP> cyclisation <SEP> 9 <SEP> addition <SEP> Il
<tb>  <SEP> OH <SEP> 011
<tb>     Déhydrolinalol   
 La méthode ci-dessus sera décrite de façon plus détaillée dans l'exemple illustrant l'invention.



   L'exemple ci-aprés illustrera la présente invention de façon plus détaillée, sans pour autant la limiter. Dans ledit exemple, les températures sont indiquées en degrés centigrades et les abréviations employées ont le sens usuel dans   l'art.   



  Exemple:
 Acétate de   2-méthyl-3- (2-méthyl-5-isopropyI-cyclopent-l-       éne-J-yl) -propyle.   



   29 g de   2-méthyl-3-(2-méthyl-5-isopropényl-cyclopent- 1 -éne-l -    yl)-propanal, dissous dans 250 ml d'éther, ont été ajoutés goutte à goutte à 4 g de   LiAIH4    en suspension dans 100 ml d'éther.   Aprés    avoir poursuivi l'agitation du mélange durant 2 h, le tout a été versé sur glace.   Aprés    séparation de la phase organique, lavage, séchage et distillation selon les techniques usuelles, on a recueilli 28 g (95%) de   2-méthyl-3-(2-méthyl-5-isopropényl-cyclopent-1-    éne-l-yl)-propanol.



      nD = 1,4894; d20 = 0,9198
IR: 3380, 1790, 1640, 885 cm-l;   
SM: M+ =   194(40); m/e:    179 (7); 161(16); 151(40); 136 (25);
 121(100); 107 (60); 93 (88); 79 (50); 55 (45); 41 (60); 29 (20).  



   9,7 g de l'alcool ainsi préparé ont été hydrogénés en présence de quantités catalytiques de nickel de Raney et d'alcool méthylique. Après absorption de 1130   ml    d'hydrogène, le mélange de réaction a été filtré et le filtrat clair évaporé pour fournir 9,2 g de   2-méthyl-3-(2-méthyl-5-isopropyl-cyclopent- 1 -én- 1 -yl)-propanol    nD = 1,4789; d20 = 0,9084;
IR:   3400cm-1   
SM: M+ =   196(5); m/e:    153 (20); 135 (24); 121(4); 107 (16); 95
   (100); 79 (16);    69 (10); 55 (15); 41(20); 29 (5).



   L'alcool ci-dessus a ensuite été traité comme indiqué ci-après: 5 g dudit alcool et 10 g de diéthylaniline, refroidis à environ 5 et maintenus sous azote, ont été additionnés d'un mélange de 2,5 g de chlorure d'acétyle et 1,5 g d'anhydride acétique. Après avoir été maintenu sous agitation durant une nuit à 25', le mélange soumis aux traitements usuels d'extraction, lavage et séchage, a donné 6 g (98%) d'ester désiré.



  nD = 1,4619; d20 = 0,9264;   IR: 1740cm-1   
SM: M+ = 239(4); m/e: 195 (8); 135 (100); 121(2): 107 (22); 93
 (60); 79 (18); 69 (5); 55 (12); 43 (40); 29 (4).



   Le   2-méthyl-3-(2-méthyl-5-isopropényl-cyclopent- 1 -éne- I -yl)-    propanal, utilisé ci-dessus comme produit de départ, peut être obtenu comme suit:
 a)   I-méthyl-2-méthylène-3-isopropényl-cyclopentan-1-ol.   



   1 kg de 2,6-diméthyl-oct-2-én-7-yn-6-ol a été soumis à pyrolyse pendant 12 h à une température d'environ   180     sous atmosphère d'azote. On a ainsi obtenu avec un rendement de 95% un mélange comprenant 55:45 parties en poids des deux diastéréo-isomères de l'alcool désiré.



   Les temps de pyrolyse peuvent être sensiblement réduits si   l'on    effectue ladite opération à une température plus élevée que celle indiquée ci-dessus. C'est ainsi qu'à une température d'environ   350     les temps de réaction sont réduits à environ 0,5-1 s, tout en obtenant des rendements analogues.



   Les deux isomères indiqués ont montré les caractères analytiques suivants:
 A: Eb.   35-6 /0,2    torr; nD = 1,4839; d20 = 0,9294;   IR: 3400, 3080, 1640, 895, 890 cm-l;   
RMN: 1,33 (3H,s); 1,63 (3H,s); 4,75 (2H,m); 4,75 et 5,1 (3H,2d,
   5=3 cops)    6 ppm;
SM:   M+ = 152(1);    m/e: 137 (32), 49 (24), 109 (37), 95 (53), 79
 (63), 67 (38), 53 (17), 43 (100), 27 (20).



   B:   Eb.      38-9-/0,2    torr; nD =   1,4811; d2o    =   0,9247;   
IR: 3400, 3080, 1800, 1640, 890cm-1;
RMN: 1,26 (3H,s); 1,61 (3H,s); 4,73 (2H,m); 4,75 et 5,15 (2H,2d,
   J = 3    cps) 6 ppm;
SM:   M+ = 152(1);    m/e: 137 (66), 119(35), 109 (45), 91(22), 79
 (57), 67 (36), 55 (27), 43 (100), 27 (22).



   b)   2-méthyl-3- (2-méthyl-5-isopropényl-cyclopent-l-       én-J-yl) -propanal.   



   15,2 g de   1-méthyl-2-méthylène-3-isopropényl-cyclopentan-1-    ol, obtenu suivant a), 29,2 g d'éthoxy-prop-l-ène et 0,1 g d'acide phosphorique à 85% ont été chauffés sous azote à environ   150     pendant environ 60 mn dans un tube scellé.

 

   Le mélange de réaction est ensuite versé sur de la glace et extrait à l'éther. Après les traitements usuels de lavage, neutralisation et séchage des extraits combinés, on a obtenu par évaporation et distillation 15,7 g d'un produit à   Eb.      55-60 /0,1    torr.



   Par redistillation dudit produit, on a pu isoler 13,5 g (rende   ment 70%) de l'aldéhyde désiré; nD= = 1,4810; d2 =0,9147.   



  IR: 3085, 2700, 1725, 1640, 878   cm-l;   
RMN: 0,94 (3H,d,   J=7    cps); 1,57 (3H,s); 1,69 (3H,s); 4,69 (m);
 9,5 (lH,s, J= 2 cps)   6 ppm;      SU: MU    = 192(43); m/e: 177 (17), 164(60), 149 (63), 135 (26),
 121(98), 107 (72), 93 (100), 79 (61), 67 (25), 55 (48), 41(80), 29
 (32). 



  
 



  Alicyclic compounds of formula
EMI1.1
 in which the symbol R represents an acyl residue containing from 1 to 6 carbon atoms are new compounds, appreciated in the perfume industry as in that of aromas for their organoleptic properties (see on this subject Swiss patent N "566113) .



   The subject of the present invention is a process for the preparation of compounds I as defined above, said process being characterized in that the aldehyde function of a compound of formula is reduced:
EMI1.2
 to obtain a compound of formula:
EMI1.3
 that the alcohol thus obtained is then subjected to a catalytic hydrogenation and subsequently the product resulting from said hydrogenation is treated by means of an esterifying agent of formula:
 R'-CO-X (IV) in which the symbol X represents a halogen atom and R 'a hydrogen atom or an alkyl residue containing from 1 to 5 carbon atoms.



   The reduction of the aldehyde function of compound II, the first reaction step of the process of the invention, can be carried out by means of reagents commonly used in organic chemistry in order to convert an aldehydic function into a primary alcohol function (see on this subject HO House , Modern Synthetic
Reactions, Benjamin Inc., 1965, p. 23 and following). An alkali metal aluminohydride such as lithium or sodium aluminohydride for example can be used for this purpose.



   The product resulting from the above reduction is a primary alcohol of the formula:
EMI1.4

 According to the invention, this alcohol is then subjected to catalytic hydrogenation, the product resulting from said hydrogenation being finally esterified to give compound I.



   The hydrogenation of compound III actually consists of converting the isopropenyl group attached to the 5-membered ring to an isopropyl group. Said hydrogenation can be carried out in the presence of metal catalysts commonly used in organic chemistry (see on this subject H. O. House, op. Cit., P. 1 et seq.), For example platinum, palladium, rhodium or nickel.



  Raney nickel, platinum oxide or palladium adsorbed on activated carbon are preferably used.



   Said hydrogenation is also carried out in the presence of an inert organic solvent, such as an ether such as dioxane or tetrahydrofuran, an aliphatic or aromatic hydrocarbon, or else an aliphatic alcohol such as methanol, ethanol, isopropanol or t-butanol for example.



   The subsequent esterification can be carried out according to the usual techniques, for example by treating the product resulting from the hydrogenation of compound III by means of an acyl halide, in the presence of an organic base such as diethylaniline or triethylamine for example. This is how formate, acetate, propionate, butyrate or isobutyrate can be prepared, for example.



   The alicyclic aldehyde of formula II, used as starting material according to the process of the invention, can be obtained as indicated below:
EMI1.5


<tb> i <SEP> cyclization <SEP> 9 <SEP> addition <SEP> It
<tb> <SEP> OH <SEP> 011
<tb> Dehydrolinalool
 The above method will be described in more detail in the example illustrating the invention.



   The example below will illustrate the present invention in more detail, without however limiting it. In said example, the temperatures are indicated in degrees centigrade and the abbreviations used have the usual meaning in the art.



  Example:
 2-Methyl-3- (2-methyl-5-isopropyI-cyclopent-1-en-J-yl) -propyl acetate.



   29 g of 2-methyl-3- (2-methyl-5-isopropenyl-cyclopent-1 -ene-1-yl) -propanal, dissolved in 250 ml of ether, was added dropwise to 4 g of LiAIH4 suspended in 100 ml of ether. After continuing to stir the mixture for 2 h, the whole was poured onto ice. After separation of the organic phase, washing, drying and distillation according to the usual techniques, 28 g (95%) of 2-methyl-3- (2-methyl-5-isopropenyl-cyclopent-1-ene-1-) were collected. yl) -propanol.



      nD = 1.4894; d20 = 0.9198
IR: 3380, 1790, 1640, 885 cm-1;
MS: M + = 194 (40); m / e: 179 (7); 161 (16); 151 (40); 136 (25);
 121 (100); 107 (60); 93 (88); 79 (50); 55 (45); 41 (60); 29 (20).



   9.7 g of the alcohol thus prepared was hydrogenated in the presence of catalytic amounts of Raney nickel and methyl alcohol. After absorption of 1130 ml of hydrogen, the reaction mixture was filtered and the clear filtrate evaporated to provide 9.2 g of 2-methyl-3- (2-methyl-5-isopropyl-cyclopent-1 -en-1 -yl) -propanol nD = 1.4789; d20 = 0.9084;
IR: 3400cm-1
MS: M + = 196 (5); m / e: 153 (20); 135 (24); 121 (4); 107 (16); 95
   (100); 79 (16); 69 (10); 55 (15); 41 (20); 29 (5).



   The above alcohol was then treated as indicated below: 5 g of said alcohol and 10 g of diethylaniline, cooled to about 5 and kept under nitrogen, were added a mixture of 2.5 g of d chloride acetyl and 1.5 g of acetic anhydride. After having been kept under stirring overnight at 25 ', the mixture subjected to the usual extraction, washing and drying treatments, gave 6 g (98%) of the desired ester.



  nD = 1.4619; d20 = 0.9264; IR: 1740cm-1
MS: M + = 239 (4); m / e: 195 (8); 135 (100); 121 (2): 107 (22); 93
 (60); 79 (18); 69 (5); 55 (12); 43 (40); 29 (4).



   2-Methyl-3- (2-methyl-5-isopropenyl-cyclopent-1 -ene-I -yl) - propanal, used above as a starting material, can be obtained as follows:
 a) I-methyl-2-methylene-3-isopropenyl-cyclopentan-1-ol.



   1 kg of 2,6-dimethyl-oct-2-en-7-yn-6-ol was subjected to pyrolysis for 12 h at a temperature of about 180 under a nitrogen atmosphere. A mixture comprising 55:45 parts by weight of the two diastereoisomers of the desired alcohol was thus obtained with a yield of 95%.



   Pyrolysis times can be significantly reduced if said operation is carried out at a higher temperature than that indicated above. Thus, at a temperature of about 350 the reaction times are reduced to about 0.5-1 s, while obtaining similar yields.



   The two isomers indicated showed the following analytical characteristics:
 A: Eb. 35-6 / 0.2 torr; nD = 1.4839; d20 = 0.9294; IR: 3400, 3080, 1640, 895, 890 cm-1;
NMR: 1.33 (3H, s); 1.63 (3H, s); 4.75 (2H, m); 4.75 and 5.1 (3H, 2d,
   5 = 3 copies) 6 ppm;
MS: M + = 152 (1); m / e: 137 (32), 49 (24), 109 (37), 95 (53), 79
 (63), 67 (38), 53 (17), 43 (100), 27 (20).



   B: Eb. 38-9- / 0.2 torr; nD = 1.4811; d20 = 0.9247;
IR: 3400, 3080, 1800, 1640, 890cm-1;
NMR: 1.26 (3H, s); 1.61 (3H, s); 4.73 (2H, m); 4.75 and 5.15 (2H, 2d,
   J = 3 cps) 6 ppm;
MS: M + = 152 (1); m / e: 137 (66), 119 (35), 109 (45), 91 (22), 79
 (57), 67 (36), 55 (27), 43 (100), 27 (22).



   b) 2-methyl-3- (2-methyl-5-isopropenyl-cyclopent-1-en-J-yl) -propanal.



   15.2 g of 1-methyl-2-methylene-3-isopropenyl-cyclopentan-1-ol, obtained according to a), 29.2 g of ethoxy-prop-1-ene and 0.1 g of phosphoric acid 85% were heated under nitrogen at about 150 for about 60 min in a sealed tube.

 

   The reaction mixture is then poured onto ice and extracted with ether. After the usual washing, neutralization and drying treatments of the combined extracts, 15.7 g of a product at bp were obtained by evaporation and distillation. 55-60 / 0.1 torr.



   By redistillation of said product, it was possible to isolate 13.5 g (yield 70%) of the desired aldehyde; nD = = 1.4810; d2 = 0.9147.



  IR: 3085, 2700, 1725, 1640, 878 cm-1;
NMR: 0.94 (3H, d, J = 7 cps); 1.57 (3H, s); 1.69 (3H, s); 4.69 (m);
 9.5 (1H, s, J = 2 cps) 6 ppm; SU: MU = 192 (43); m / e: 177 (17), 164 (60), 149 (63), 135 (26),
 121 (98), 107 (72), 93 (100), 79 (61), 67 (25), 55 (48), 41 (80), 29
 (32).


    

Claims (1)

REVENDICATION CLAIM Procédé pour la préparation d'un composé alicyclique de formule: EMI2.1 dans laquelle le symbole R représente un reste acyle contenant de 1 à 6 atomes de carbone, caractérisé en ce qu'on réduit la fonction aldéhydique d'un composé de formule: EMI2.2 pour obtenir un composé de formule: EMI2.3 qu'on soumet ensuite l'alcool ainsi obtenu à une hydrogénation catalytique et subséquemment traite le produit résultant de ladite hydrogénation au moyen d'un agent estérifiant de formule: R'-CO-X (Iy) dans laquelle le symbole X représente un atome d'halogène et R' un atome d'hydrogène ou un reste alkyle contenant de 1 à 5 atomes de carbone. Process for the preparation of an alicyclic compound of the formula: EMI2.1 in which the symbol R represents an acyl residue containing from 1 to 6 carbon atoms, characterized in that the aldehyde function of a compound of formula is reduced: EMI2.2 to obtain a compound of formula: EMI2.3 that the alcohol thus obtained is then subjected to a catalytic hydrogenation and subsequently the product resulting from said hydrogenation is treated by means of an esterifying agent of formula: R'-CO-X (Iy) in which the symbol X represents a halogen atom and R 'a hydrogen atom or an alkyl residue containing from 1 to 5 carbon atoms. SOUS-REVENDICATIONS 1. Procédé selon la revendication, caractérisé en ce qu'on effectue la réduction de la fonction aldéhydique du composé II au moyen d'un aluminohydrure de métal alcalin. SUB-CLAIMS 1. Method according to claim, characterized in that the reduction of the aldehyde function of compound II is carried out by means of an alkali metal aluminum hydride. 2. Procédé selon la sous-revendication 1, caractérisé en ce qu'on effectue ladite réduction au moyen d'aluminohydrure de lithium. 2. Method according to sub-claim 1, characterized in that said reduction is carried out by means of lithium aluminum hydride. 3. Procédé selon la revendication, caractérisé en ce que l'hydrogénation du composé III s'effectue en présence de nickel de Raney. 3. Method according to claim, characterized in that the hydrogenation of compound III is carried out in the presence of Raney nickel. 4. Procédé selon la revendication, caractérisé en ce que l'estérification du produit résultant de l'hydrogénation du composé III s'effectue au moyen d'un composé de formule IV dans laquelle le symbole X représente un atome de chlore. 4. Method according to claim, characterized in that the esterification of the product resulting from the hydrogenation of compound III is carried out by means of a compound of formula IV in which the symbol X represents a chlorine atom.
CH1609375A 1973-02-09 1973-02-09 Flavouring cpds., from 2-methyl-3-(cyclopent-1-en-1-ul)-propanol - itself prepd. by cyclisation of 2,6-dimethyl-oct-2-en-7-yne-6-ol and addn. of ethoxy-prop-1-ene CH577452A5 (en)

Priority Applications (1)

Application Number Priority Date Filing Date Title
CH1609375A CH577452A5 (en) 1973-02-09 1973-02-09 Flavouring cpds., from 2-methyl-3-(cyclopent-1-en-1-ul)-propanol - itself prepd. by cyclisation of 2,6-dimethyl-oct-2-en-7-yne-6-ol and addn. of ethoxy-prop-1-ene

Applications Claiming Priority (1)

Application Number Priority Date Filing Date Title
CH1609375A CH577452A5 (en) 1973-02-09 1973-02-09 Flavouring cpds., from 2-methyl-3-(cyclopent-1-en-1-ul)-propanol - itself prepd. by cyclisation of 2,6-dimethyl-oct-2-en-7-yne-6-ol and addn. of ethoxy-prop-1-ene

Publications (1)

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CH577452A5 true CH577452A5 (en) 1976-07-15

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