6,7-Dichloro-2-((Z)-3-chloro-but-2-enyl)-5-methoxy-2-propyl-indan-1-one | 114918-13-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 6,7-Dichloro-2-((Z)-3-chloro-but-2-enyl)-5-methoxy-2-propyl-indan-1-one
• 英文别名: 6,7-Dichloro-2-(3-chloro-2-butenyl)-2,3-dihydro-5-methoxy-2-propyl-1H-inden-1-one；6,7-dichloro-2-(3-chlorobut-2-enyl)-5-methoxy-2-propyl-3H-inden-1-one
• CAS: 114918-13-7
• 化学式: C₁₇H₁₉Cl₃O₂
• 分子量: 361.696
• InChiKey: FCOZSNVSZDJQCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  6,7-dichloro-2,3-dihydro-5-methoxy-2-propyl-1H-inden-1-one 、 1,3-二氯-2-丁烯 在 sodium hydroxide 、 N-[4-(trifluoromethyl)benzyl]cinchoninium bromide 作用下， 以 甲苯 为溶剂， 反应 24.0h， 生成 6,7-Dichloro-2-((Z)-3-chloro-but-2-enyl)-5-methoxy-2-propyl-indan-1-one 、 (R)-6,7-Dichloro-2-((Z)-3-chloro-but-2-enyl)-5-methoxy-2-propyl-indan-1-one
  参考文献：
  名称：

  Bhattacharya, Apurba; Dolling, Ulf-H.; Grabowski, Edward J. J., Angewandte Chemie, 1986, vol. 98, # 5, p. 442 - 443

  摘要：

  DOI：

文献信息

• (5,6-dichloro-3-oxo-9A-propyl-2,3,9,9A-tetrahydrofluoren-7-yl)alkanoic
  申请人：Merck & Co., Inc.

  公开号：US04731472A1

  公开（公告）日：1988-03-15

  The invention relates to novel [(5,6-dichloro-3-oxo-9a-propyl-2,3,9,9a-tetrahydrofluoren-7-yl)]alkanoic acids and alkanimidamides, their derivatives and their salts. The compounds are useful for the treatment and prevention of injury to the brain and of edema due to head trauma, stroke (particularly ischemic), arrested breathing, cardiac arrest, Reye's syndrome, cerebral thrombosis, cerebral embolism, cerebral hemorrhage, cerebral tumors, encephalomyelitis, spinal cord injury, hydrocephalus, post-operative brain injury trauma, edema due to cerebral infections, various brain concussions and elevated intracranial pressure.

  本发明涉及新型[(5,6-二氯-3-氧代-9a-丙基-2,3,9,9a-四氢芴-7-基)]脂肪酸和脂肪酰胺衍生物及其盐。这些化合物可用于治疗和预防脑部损伤和由头部外伤、中风（特别是缺血性中风）、呼吸停止、心脏骤停、Reye综合症、脑血栓形成、脑栓塞、脑出血、脑肿瘤、脑脊髓炎、脊髓损伤、脑积水、术后脑损伤、由脑部感染引起的水肿、各种脑震荡和颅内压升高。
• (5,6-dichloro-3-oxo-9.alpha.-propyl-2,3,9,9.alpha.-tet
  申请人：Merck & Co., Inc.

  公开号：US04835313A1

  公开（公告）日：1989-05-30

  The invention relates to novel [5,6-dichloro-3-oxo-9a-propyl-2,3,9,9a -tetrahydrofluoren-7-yl)]alkanoic acids and alkanimidamides, their derivatives and their salts. The compounds are useful for the treatment and prevention of injury to the brain and of edema due to head trauma, stroke (particularly ischemic), arrested breathing, cardiac arrest, Reye's syndrome, cerebral thrombosis, cerebral embolism, cerebral hemorrhage, cerebral tumors, encephalomyelitis, spinal cord injury, hydrocephalus, post-operative brain injury trauma, edema due to cerebral infections, various brain concussions and elevated intracranial pressure.

  本发明涉及新颖的[5,6-二氯-3-氧代-9a-丙基-2,3,9,9a-四氢芴-7-基)]烷酸和烷基酰胺，它们的衍生物和盐。这些化合物可用于治疗和预防由于头部创伤、中风（特别是缺血性）、窒息、心脏骤停、Reye综合症、脑血栓、脑栓塞、脑出血、脑肿瘤、脑脊髓炎、脊髓损伤、脑积水、手术后脑损伤、由脑部感染引起的水肿、各种脑震荡和颅内压升高所致的脑损伤和水肿。
• Bhattacharya, Apurba; Dolling, Ulf-H.; Grabowski, Edward J. J., Angewandte Chemie, 1986, vol. 98, # 5, p. 442 - 443
  作者：Bhattacharya, Apurba、Dolling, Ulf-H.、Grabowski, Edward J. J.、Karady, Sandor、Ryan, Kenneth M.、Weinstock, Leonard M.

  DOI：——

  日期：——