(R)-(2-chlorophenyl)(cyano)methyl 4-methylbenzenesulfonate | 929200-23-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (R)-(2-chlorophenyl)(cyano)methyl 4-methylbenzenesulfonate
• 英文别名: [(R)-(2-chlorophenyl)-cyanomethyl] 4-methylbenzenesulfonate
• CAS: 929200-23-7
• 化学式: C₁₅H₁₂ClNO₃S
• 分子量: 321.784
• InChiKey: IQDPKFPZSFZEAP-HNNXBMFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  75.5
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Preparation of Clopidogrel and Its Analogues Methyl Tetrahydrothienopyridine Acetate Compuunds
  申请人：Wang Lixin

  公开号：US20080249311A1

  公开（公告）日：2008-10-09

  The present invention disclosed a preparation method of Clopidogrel (X=2-Cl) and its analogues of methyl tetrahydrothienopyridine acetate (I) by using halogen phenyl acetonitrile (VIII) as starting material and tetrahydrothienopyridine acetonitrile (IV), tetrahydrothienopyridine acetate (V) as key intermediates, and further using kinetic resolution to prepare the optical active Clopidogrel and compounds of methyl tetrahydrothenopridine acetate of formula (XII). The Clopidogrel of present invention is a novel high effective and safety drug for inhibition of platelet aggregation. This invention applied systematic technique of racemization of unwanted optical active enantiomer, recover recycle and reuse of resolution agent etc., with greater economic advantages and suitable for commercial scale industrial production. Wherein: X represents atoms of hydrogen, fluorine, chlorine, bromine or iodine, M represents an alkali metal ion.

  本发明揭示了一种使用卤代苯基乙腈（VIII）作为起始材料和四氢噻吡啶乙腈（IV）、四氢噻吡啶醋酸酯（V）作为关键中间体，进一步利用动力学分辨制备光学活性的氯吡格雷和化合物的制备方法。本发明的氯吡格雷是一种新型高效且安全的抑制血小板聚集的药物。该发明应用了系统技术对不需要的光学活性对映异构体进行消旋，回收和再利用分辨剂等，具有更大的经济优势，适用于商业规模的工业生产。其中：X代表氢、氟、氯、溴或碘原子，M代表碱金属离子。
• PREPARATION OF CLOPIDOGREL AND ITS ANALOGUES METHYL TETRAHYDROTHIENOPYRIDINE ACETATE COMPOUNDS
  申请人：Zhejiang Huahai Pharmaceutical Co., Ltd.

  公开号：EP1942110A1

  公开（公告）日：2008-07-09

  The present invention disclosed a preparation method of Clopidogrel (X=2-Cl) and its analogues of methyl tetrahydrothienopyridine acetate (I) by using halogen phenyl acetonitrile (VIII) as starting material and tetrahydrothienopyridine acetonitrile (IV), tetrahydrothienopyridine acetate (V) as key intermediates, and further using kinetic resolution to prepare the optical active Clopidogrel and compounds of methyl tetrahydrothenopridine acetate of formula (XII). The Clopidogrel of present invention is a novel high effective and safety drug for inhibition of platelet aggregation. This invention applied systematic technique of racemization of unwanted optical active enantiomer, recover recycle and reuse of resolution agent etc., with greater economic advantages and suitable for commercial scale industrial production. Wherein: X represents atoms of hydrogen, fluorine, chlorine, bromine or iodine, M represents an alkali metal ion.

  本发明公开了一种以卤代苯乙腈(VIII)为起始原料，以四氢噻吩吡啶乙腈(IV)、四氢噻吩吡啶乙酸酯（V）为关键中间体，进一步利用动力学解析法制备出光学活性氯吡格雷和式(XII)的四氢塞那吡啶乙酸甲酯化合物。本发明的氯吡格雷是一种新型高效安全的抑制血小板聚集的药物。本发明采用系统的技术，对不需要的光学活性对映体进行消旋化，回收循环再利用解析剂等，具有较大的经济优势，适合商业化规模的工业生产。 其中X 代表氢原子、氟原子、氯原子、溴原子或碘原子，M 代表碱金属离子。
• US7932391B2
  申请人：——

  公开号：US7932391B2

  公开（公告）日：2011-04-26