FR2865819B1 - PROCESS FOR IDENTIFYING ONE OR MORE CATALYSTS USED FOR THE TRANSFORMATION OF A COMPOUND - Google Patents

PROCESS FOR IDENTIFYING ONE OR MORE CATALYSTS USED FOR THE TRANSFORMATION OF A COMPOUND

Info

Publication number
FR2865819B1
FR2865819B1 FR0450178A FR0450178A FR2865819B1 FR 2865819 B1 FR2865819 B1 FR 2865819B1 FR 0450178 A FR0450178 A FR 0450178A FR 0450178 A FR0450178 A FR 0450178A FR 2865819 B1 FR2865819 B1 FR 2865819B1
Authority
FR
France
Prior art keywords
reaction
transformation
motif
catalyst
reactivity
Prior art date
Legal status (The legal status is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the status listed.)
Expired - Fee Related
Application number
FR0450178A
Other languages
French (fr)
Other versions
FR2865819A1 (en
Inventor
Alain Wagner
Cedric Catala
Current Assignee (The listed assignees may be inaccurate. Google has not performed a legal analysis and makes no representation or warranty as to the accuracy of the list.)
Novalyst Discovery
Original Assignee
Novalyst Discovery
Priority date (The priority date is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the date listed.)
Filing date
Publication date
Application filed by Novalyst Discovery filed Critical Novalyst Discovery
Priority to FR0450178A priority Critical patent/FR2865819B1/en
Priority to US10/587,336 priority patent/US20070161039A1/en
Priority to EP05717693A priority patent/EP1718583A1/en
Priority to PCT/FR2005/050054 priority patent/WO2005077864A1/en
Publication of FR2865819A1 publication Critical patent/FR2865819A1/en
Application granted granted Critical
Publication of FR2865819B1 publication Critical patent/FR2865819B1/en
Anticipated expiration legal-status Critical
Expired - Fee Related legal-status Critical Current

Links

Classifications

    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/10—Analysis or design of chemical reactions, syntheses or processes
    • B—PERFORMING OPERATIONS; TRANSPORTING
    • B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J2219/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
    • B01J2219/00274—Sequential or parallel reactions; Apparatus and devices for combinatorial chemistry or for making arrays; Chemical library technology
    • B01J2219/0068—Means for controlling the apparatus of the process
    • B01J2219/00695—Synthesis control routines, e.g. using computer programs
    • B—PERFORMING OPERATIONS; TRANSPORTING
    • B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J2219/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
    • B01J2219/00274—Sequential or parallel reactions; Apparatus and devices for combinatorial chemistry or for making arrays; Chemical library technology
    • B01J2219/00718—Type of compounds synthesised
    • B01J2219/0072—Organic compounds
    • B01J2219/00725—Peptides
    • B—PERFORMING OPERATIONS; TRANSPORTING
    • B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J2219/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
    • B01J2219/00274—Sequential or parallel reactions; Apparatus and devices for combinatorial chemistry or for making arrays; Chemical library technology
    • B01J2219/00718—Type of compounds synthesised
    • B01J2219/0072—Organic compounds
    • B01J2219/00738—Organic catalysts
    • B—PERFORMING OPERATIONS; TRANSPORTING
    • B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J2219/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
    • B01J2219/00274—Sequential or parallel reactions; Apparatus and devices for combinatorial chemistry or for making arrays; Chemical library technology
    • B01J2219/00718—Type of compounds synthesised
    • B01J2219/0072—Organic compounds
    • B01J2219/0074—Biological products
    • B01J2219/00743—Cells
    • B—PERFORMING OPERATIONS; TRANSPORTING
    • B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J2219/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
    • B01J2219/00274—Sequential or parallel reactions; Apparatus and devices for combinatorial chemistry or for making arrays; Chemical library technology
    • B01J2219/00718—Type of compounds synthesised
    • B01J2219/00745—Inorganic compounds
    • B01J2219/00747—Catalysts
    • B—PERFORMING OPERATIONS; TRANSPORTING
    • B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J23/00—Catalysts comprising metals or metal oxides or hydroxides, not provided for in group B01J21/00
    • B01J23/38—Catalysts comprising metals or metal oxides or hydroxides, not provided for in group B01J21/00 of noble metals
    • B01J23/40—Catalysts comprising metals or metal oxides or hydroxides, not provided for in group B01J21/00 of noble metals of the platinum group metals
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/90—Programming languages; Computing architectures; Database systems; Data warehousing

Abstract

Selecting a catalyst useful for chemical transformation of a reaction motif comprises acquiring data relating to the transformation, searching a database comprising information on the reactivity of catalysts with respect to reaction motifs listed in the database and present in reactivity probes to identify a reaction motif, and selecting a catalyst with the required reactivity as a function of the reaction motif and the transformation. - Selecting (M1) a catalyst useful for chemical transformation of a reaction motif comprises acquiring data relating to the transformation and optionally the structural environment of the reaction motif, searching a database comprising information on the reactivity of a set of catalysts with respect to reaction motifs listed in the database and present in reactivity probes to identify a reaction motif related to the motif to be transformed, and selecting a catalyst with the required reactivity from the database as a function of the reaction motif thus identified and the transformation to be carried out. - An INDEPENDENT CLAIM is also included for providing a catalyst for transforming a reaction motif of a compound by a given reaction by selecting a catalyst by (M1) and providing (especially manufacturing) the catalyst.
FR0450178A 2004-01-30 2004-01-30 PROCESS FOR IDENTIFYING ONE OR MORE CATALYSTS USED FOR THE TRANSFORMATION OF A COMPOUND Expired - Fee Related FR2865819B1 (en)

Priority Applications (4)

Application Number Priority Date Filing Date Title
FR0450178A FR2865819B1 (en) 2004-01-30 2004-01-30 PROCESS FOR IDENTIFYING ONE OR MORE CATALYSTS USED FOR THE TRANSFORMATION OF A COMPOUND
US10/587,336 US20070161039A1 (en) 2004-01-30 2005-01-28 Method for creating a database enabling the selection of at least one reaction-capable catalyst
EP05717693A EP1718583A1 (en) 2004-01-30 2005-01-28 Method for creating a database enabling the selection of at least one reaction-capable catalyst
PCT/FR2005/050054 WO2005077864A1 (en) 2004-01-30 2005-01-28 Method for creating a database enabling the selection of at least one reaction-capable catalyst

Applications Claiming Priority (1)

Application Number Priority Date Filing Date Title
FR0450178A FR2865819B1 (en) 2004-01-30 2004-01-30 PROCESS FOR IDENTIFYING ONE OR MORE CATALYSTS USED FOR THE TRANSFORMATION OF A COMPOUND

Publications (2)

Publication Number Publication Date
FR2865819A1 FR2865819A1 (en) 2005-08-05
FR2865819B1 true FR2865819B1 (en) 2007-04-27

Family

ID=34746518

Family Applications (1)

Application Number Title Priority Date Filing Date
FR0450178A Expired - Fee Related FR2865819B1 (en) 2004-01-30 2004-01-30 PROCESS FOR IDENTIFYING ONE OR MORE CATALYSTS USED FOR THE TRANSFORMATION OF A COMPOUND

Country Status (1)

Country Link
FR (1) FR2865819B1 (en)

Families Citing this family (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
EP4029024B1 (en) * 2019-09-13 2023-11-08 HTE GmbH The High Throughput Experimentation Company Method and device for supporting the production of a functional material

Family Cites Families (3)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
GB2327754B (en) * 1997-07-26 2000-03-15 Johnson Matthey Plc Improvements in catalyst testing
US6149882A (en) * 1998-06-09 2000-11-21 Symyx Technologies, Inc. Parallel fixed bed reactor and fluid contacting apparatus
WO2002014854A1 (en) * 2000-08-14 2002-02-21 Chevron U.S.A. Inc. Use of microchannel reactors in combinatorial chemistry

Also Published As

Publication number Publication date
FR2865819A1 (en) 2005-08-05

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Date Code Title Description
ST Notification of lapse

Effective date: 20120928