trans-α,β-Dichlor-zimtsaeurechlorid | 829-15-2

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: trans-α,β-Dichlor-zimtsaeurechlorid
• 英文别名: 2-Propenoyl chloride, 2,3-dichloro-3-phenyl-, (E)-；(E)-2,3-dichloro-3-phenylprop-2-enoyl chloride
• CAS: 829-15-2
• 化学式: C₉H₅Cl₃O
• 分子量: 235.497
• InChiKey: ZLHOKDXDKWQNMC-BQYQJAHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  13.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  trans-α,β-Dichlor-zimtsaeurechlorid 在 lithium aluminium tetrahydride 、 正丁基锂 、 Trapp-mixture 、 五氯化磷 、 三乙胺 作用下， 以 乙醚 为溶剂， 反应 20.5h， 生成 (Z)-1,2,3,4,4-Pentachlor-1-phenyl-1-buten
  参考文献：
  名称：

  Roedig, Alfred; Ganns, Eva Maria, Liebigs Annalen der Chemie, 1981, # 9, p. 1685 - 1692

  摘要：

  DOI：
• 作为产物：
  描述：

  α,β-dichloro-trans-cinnamic acid 在 氯化亚砜 作用下， 生成 trans-α,β-Dichlor-zimtsaeurechlorid
  参考文献：
  名称：

  Boberg,F., Justus Liebigs Annalen der Chemie, 1964, vol. 678, p. 67 - 77

  摘要：

  DOI：

文献信息

• ROEDIG, A.;GANNS, E. M., LIEBIGS ANN. CHEM., 1981, N 9, 1685-1692
  作者：ROEDIG, A.、GANNS, E. M.

  DOI：——

  日期：——
• INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP1309551A1

  公开（公告）日：2003-05-14
• [EN] INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS<br/>[FR] DERIVES D'INDOLINE EN TANT QU'ANTAGONISTES 5HT2C
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO2002014273A1

  公开（公告）日：2002-02-21

  The invention relates to novel cinnamide compounds which have 5-HT2C antagonist activity and have the general formula (I), or is a pharmaceutically acceptable salt thereof: in which P is phenyl or naphthyl; R1 is halogen, C¿1-6?alkyl, C1-6alkoxy, C1-6alkylthio, hydroxy, amino, mono- or di-C1-6alkylamino, nitro, CN, CF3, OCF3, aryl, arylC1-6alkyl, arylC1-6alkyloxy or arylC1-6alkylthio; a is 0, 1, 2, 3, 4 or 5; R?2 and R3¿ are independently hydrogen or C¿1-6?alkyl; R?4¿ is hydrogen, halogen, C¿1-6?alkyl, C1-6alkocy, aryl, cyano, haloC1-6alkyl or OCF3; Z is carbon or nitrogen; R?5¿ is either: (i) a group NR6R7 where R?6 and R7¿ are independently hydrogen, optionally substituted C¿1-6?alkyl; or (ii) an optionally substituted N-linked heterocycle; or (iii) an optionally substituted C-linked heterocycle; n is 0, 1, 2 or 3 subject to the proviso that n is not 0 when R?5¿ is a group (i) or (ii); --- represents a single or double bond; X and Y are independently CR8R9 (when --- represents a single bond) or X and Y are independently CR10 (when --- represents a double bond) wherein R?8, R9 and R10¿ are independently hydrogen or C¿1-6?alkyl. Also disclosed are processes for their preparation, compositions containing them and their use in the treatment of CNS and other disorders.