Clopidogrel Camphorsulfonate
Numéro de catalogue B8563496
Poids moléculaire: 554.1 g/mol
Clé InChI: XEENARPWPCQXST-UHFFFAOYSA-N
Attention: Uniquement pour un usage de recherche. Non destiné à un usage humain ou vétérinaire.
Patent
US06215005B1
Procedure details
To the suspension made of 200 g of (+)-(2-chlorophenyl)(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid methyl ester (−)-camphorsulfonic acid salt and 800 ml of dichloromethane is added 800 ml of sodium hydrogen carbonate solution. After stirring the organic phase is separated by decantation, dried on sodium sulfate and the solvent is removed in vacuo. The (+)-(2-chlorophenyl)(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid methyl ester is obtained as a solution in 800 ml of dichloromethane. After stirring, the organic phase is separated by decantation, dried over sodium sulfate and the solvent is removed in vacuo.
Quantity
200 g
Type
reactant
Reaction Step One
Name
(+)-(2-chlorophenyl)(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid methyl ester
Identifiers
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REACTION_CXSMILES
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C12(CS(O)(=O)=O)C(C)(C)C(CC1)CC2=O.[CH3:16][O:17][C:18](=[O:36])[CH:19]([C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][C:30]=1[Cl:35])[N:20]1[CH2:25][CH2:24][C:23]2[S:26][CH:27]=[CH:28][C:22]=2[CH2:21]1.C(=O)([O-])O.[Na+]>ClCCl>[CH3:16][O:17][C:18](=[O:36])[CH:19]([C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][C:30]=1[Cl:35])[N:20]1[CH2:25][CH2:24][C:23]2[S:26][CH:27]=[CH:28][C:22]=2[CH2:21]1 |f:0.1,2.3|
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Inputs
Step One
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Name
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Quantity
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200 g
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Type
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reactant
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Smiles
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C12(C(=O)CC(CC1)C2(C)C)CS(=O)(=O)O.COC(C(N2CC1=C(CC2)SC=C1)C1=C(C=CC=C1)Cl)=O
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Step Two
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Name
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Quantity
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800 mL
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Type
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reactant
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Smiles
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C(O)([O-])=O.[Na+]
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Step Three
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Name
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Quantity
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800 mL
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Type
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solvent
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Smiles
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ClCCl
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Conditions
Stirring
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Type
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CUSTOM
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Details
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After stirring the organic phase
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Rate
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UNSPECIFIED
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RPM
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0
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Other
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Conditions are dynamic
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1
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Details
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See reaction.notes.procedure_details.
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Workups
CUSTOM
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Type
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CUSTOM
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Details
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is separated by decantation
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CUSTOM
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Type
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CUSTOM
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Details
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dried on sodium sulfate
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CUSTOM
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Type
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CUSTOM
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Details
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the solvent is removed in vacuo
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Outcomes
Product
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Name
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(+)-(2-chlorophenyl)(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid methyl ester
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Type
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product
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Smiles
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COC(C(N1CC2=C(CC1)SC=C2)C2=C(C=CC=C2)Cl)=O
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Source
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Source
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Open Reaction Database (ORD) |
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Description
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The Open Reaction Database (ORD) is an open-access schema and infrastructure for structuring and sharing organic reaction data, including a centralized data repository. The ORD schema supports conventional and emerging technologies, from benchtop reactions to automated high-throughput experiments and flow chemistry. Our vision is that a consistent data representation and infrastructure to support data sharing will enable downstream applications that will greatly improve the state of the art with respect to computer-aided synthesis planning, reaction prediction, and other predictive chemistry tasks. |
