Methyl(S)-α-(7-hydroxy-4,5,6,7-tetrahydro-5-thieno[3,2-c]pyridyl)-o-chlorophenylacetate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Methyl(S)-α-(7-hydroxy-4,5,6,7-tetrahydro-5-thieno[3,2-c]pyridyl)-o-chlorophenylacetate
• 英文别名: methyl 2-(2-chlorophenyl)-2-[(7S)-7-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetate
• 化学式: C₁₆H₁₆ClNO₃S
• 分子量: 337.827
• InChiKey: VVDWYQBBPPBKCI-LSLKUGRBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  78
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  SnCl2 dihydrate 、 Methyl(S)-α-(7-hydroxy-4,5,6,7-tetrahydro-5-thieno[3,2-c]pyridyl)-o-chlorophenylacetate 生成 氯吡格雷
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• PROCESS FOR THE PREPARATION OF TETRAHYDROTHIENO [3,2-C] PYRIDINE DERIVATIVES
  申请人：Brantford Chemicals Inc.

  公开号：EP1404681A1

  公开（公告）日：2004-04-07
• US6495691B1
  申请人：——

  公开号：US6495691B1

  公开（公告）日：2002-12-17
• [EN] PROCESS FOR THE PREPARATION OF TETRAHYDROTHIENO [3,2-C] PYRIDINE DERIVATIVES<br/>[FR] PROCEDE DE PREPARATION DE DERIVES DE TETRAHYDROTHIENO[3,2-C]PYRIDINE
  申请人：BRANTFORD CHEM INC

  公开号：WO2003004502A1

  公开（公告）日：2003-01-16

  A process for the preparation of tetrahydrothieno[3,2-c]pyridine derivatives of general formula (I), or their pharmaceutically acceptable salts, wherein the meaning of X is hydrogen, carboxyl, alkoxycarbonyl, aryloxycarbonyl, nitrile, or carbamoyl of formula (a) wherein R1 and R2 can be individually or simultaneously hydrogen, alkyl or part of a heterocyclic structure; Z can be hydrogen, halogen, alkyl, aryl, aryloxy or alkoxy group comprising the steps of: (a) reducing the compound of formula (II) with suitable reducing agents to obtain compound of formula (III), (b) reacting the compound of formula (III) with formaldehyde or any chemical equivalent thereof to obtain compound of formula (IV), (c) rearranging the compound of formula (IV) to produce the compound of formula (V), wherein Y is hydroxyl, alkanoyloxy, aroyloxy, carbamate or carbonate derivatives, and (d) reducing the compound of formula (V) to compound of formula (I).