4-(3-oxo-2-phenylbutyl)benzonitrile | 54636-71-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 4-(3-oxo-2-phenylbutyl)benzonitrile
• 英文别名: 3-Phenyl-4-(p-cyanophenyl)-2-butanon；4-(4-cyanophenyl)-3-phenyl-2-butanone
• CAS: 54636-71-4
• 化学式: C₁₇H₁₅NO
• 分子量: 249.312
• InChiKey: XBBUHAYZVCCNNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  7-溴庚酸乙酯 、 4-(3-oxo-2-phenylbutyl)benzonitrile 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 8-(p-Cyanobenzyl)-8-phenyl-9-oxodecansaeure
  参考文献：
  名称：

  FR2226996

  摘要：

  公开号：
• 作为产物：
  描述：

  4-氰基苯甲醛 在 isoxazolidine catalyst 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 反应 4.0h， 生成 4-(3-oxo-2-phenylbutyl)benzonitrile
  参考文献：
  名称：

  手性异恶唑烷介导的甲基酮立体选择性药物α-苯基化

  摘要：

  已经开发出在（+）-苯并吡喃并恶恶唑烷存在下，有效的甲基酮与三苯基铝的不​​对称α-苯基化反应。反应的进行通过所述原位形成手性的Ñ -alkoxyenamine和随后的非对映选择性亲核苯基化，以提供α-苯基化产品在中度至良好的产率，具有高对映选择性。

  DOI：

  10.1039/c8ob02480d

文献信息

• [EN] ARALKYL AMINES AS CANNABINOID RECEPTOR MODULATORS<br/>[FR] ARALKYLAMINES UTILISEES EN TANT QUE MODULATEURS DES RECEPTEURS CANNABINOIDES
  申请人：MERCK & CO INC

  公开号：WO2005044785A1

  公开（公告）日：2005-05-19

  Novel compounds of the structural formula (I) are antagonists and/or inverse agonists of the Cannabinoid-1 (CB1) receptor and are useful in the treatment, prevention and suppression of diseases mediated by the CB1 receptor. The compounds of the present invention are useful as centrally acting drugs in the treatment of psychosis, memory deficits, cognitive disorders, migraine, neuropathy, neuro-inflammatory disorders including multiple sclerosis and Guillain-Barre syndrome and the inflammatory sequelae of viral encephalitis, cerebral vascular accidents, and head trauma, anxiety disorders, stress, epilepsy, Parkinson’s disease, movement disorders, and schizophrenia. The compounds are also useful for the treatment of substance abuse disorders, including alcohol and nicotine addiction, the treatment of obesity or eating disorders, as well as the treatment of asthma, constipation, chronic intestinal pseudo-obstruction, and cirrhosis of the liver.

  具有结构公式(I)的新化合物是大麻素-1 (CB1)受体的拮抗剂和/或反向激动剂，在治疗、预防和抑制由CB1受体介导的疾病方面是有用的。本发明的化合物作为中枢作用药物，在治疗精神疾病、记忆缺陷、认知障碍、偏头痛、神经病、神经炎症性疾病（包括多发性硬化和吉兰-巴雷综合征）以及病毒性脑炎、脑血管意外和头部外伤的炎症后遗症、焦虑症、压力、癫痫、帕金森病、运动障碍和精神分裂症方面是有用的。这些化合物还用于治疗物质滥用障碍，包括酒精和尼古丁成瘾，治疗肥胖或饮食障碍，以及治疗哮喘、便秘、慢性假性肠梗阻和肝硬化。
• [EN] SUBSTITUTED ARYL AMIDES<br/>[FR] ARYLAMIDES SUBSTITUEE
  申请人：MERCK & CO INC

  公开号：WO2003087037A1

  公开（公告）日：2003-10-23

  Novel compounds of structural formula (I) are antagonists and/or inverse agonists of the Cannabinoid-1 (CB1) receptor and are useful in the treatment, prevention and suppression of diseases mediated by the CB1 receptor. The compounds of the present invention are useful as psychotropic drugs in the treatment of psychosis, memory deficits, cognitive disorders, migraine, neuropathy, neuro-inflammatory disorders including multiple sclerosis and Guillain-Barre syndrome and the inflammatory sequelae of viral encephalitis, cerebral vascular accidents, and head trauma, anxiety disorders, stress, epilepsy, Parkinson s disease, movement disorders, and schizophrenia. The compounds are also useful for the treatment of substance abuse disorders, the treatment of obesity or eating disorders, as well as, the treatment of asthma, constipation, chronic intestinal pseudo-obstruction, and cirrhosis of the liver.

  结构式（I）的新化合物是大麻素-1（CB1）受体的拮抗剂和/或逆向激动剂，并且在治疗、预防和抑制由CB1受体介导的疾病方面具有用途。本发明的化合物可作为精神药物用于治疗精神病、记忆障碍、认知障碍、偏头痛、神经病、神经炎性疾病（包括多发性硬化和吉兰-巴雷综合征）以及病毒性脑炎、脑血管意外和头部创伤的炎症后遗症、焦虑症、压力、癫痫、帕金森病、运动障碍和精神分裂症。这些化合物还可用于治疗物质滥用障碍、肥胖症或进食障碍的治疗，以及哮喘、便秘、慢性肠假性梗阻和肝硬化的治疗。
• [EN] SUBSTITUTED AMIDES<br/>[FR] AMIDES SUBSTITUES
  申请人：MERCK & CO INC

  公开号：WO2003077847A2

  公开（公告）日：2003-09-25

  Novel compounds of the structural formula (I) are antagonists and/or inverse agonists of the Cannabinoid-1 (CB1) receptor and are useful in the treatment, prevention and suppression of diseases mediated by the CB1 receptor. The compounds of the present invention are useful as centrally acting drugs in the treatment of psychosis, memory deficits, cognitive disorders, migraine, neuropathy, neuro-inflammatory disorders including multiple sclerosis and Guillain-Barre syndrome and the inflammatory sequelae of viral encephalitis, cerebral vascular accidents, and head trauma, anxiety disorders, stress, epilepsy, Parkinson s disease, movement disorders, and schizophrenia. The compounds are also useful for the treatment of substance abuse disorders, the treatment of obesity or eating disorders, as well as the treatment of asthma, constipation, chronic intestinal pseudo-obstruction, and cirrhosis of the liver.

  结构式（I）的新型化合物是大麻素-1（CB1）受体的拮抗剂和/或反向激动剂，可用于治疗、预防和抑制由CB1受体介导的疾病。本发明的化合物可作为中枢作用药物，用于治疗精神病、记忆障碍、认知障碍、偏头痛、神经病、神经炎性疾病（包括多发性硬化和格林-巴利综合征）以及病毒性脑炎、脑血管意外和头部创伤的炎症后遗症、焦虑症、压力、癫痫、帕金森病、运动障碍和精神分裂症。这些化合物还可用于治疗物质滥用障碍、肥胖症或进食障碍，以及哮喘、便秘、慢性肠假性梗阻和肝硬化的治疗。
• Spirocyclic amides as cannabinoid receptor modulators
  申请人：Hagmann K. William

  公开号：US20050239828A1

  公开（公告）日：2005-10-27

  Novel compounds of structural formula (I) are antagonists and/or inverse agonists of the Cannabinoid-1 (CB1) receptor and are useful in the treatment, prevention and suppression of diseases mediated by the CB1 receptor. The compounds of the present invention are useful as psychotropic drugs in the treatment of psychosis, memory deficits, cognitive disorders, migraine, neuropathy, neuro-inflammatory disorders including multiple sclerosis and Guillain-Barre syndrome and the inflammatory sequelae of viral encephalitis, cerebral vascular accidents, and head trauma, anxiety disorders, stress, epilepsy, Parkinsons disease, movement disorders, and schizophrenia. The compounds are also useful for the treatment of substance abuse disorders, the treatment of obesity or eating disorders, as well as, the treatment of asthma, constipation, chronic intestinal pseudo-obstruction, and cirrhosis of the liver.

  结构式（I）的新型化合物是大麻素-1（CB1）受体的拮抗剂和/或反向激动剂，并可用于治疗、预防和抑制由CB1受体介导的疾病。本发明的化合物可用作精神药物，用于治疗精神病、记忆障碍、认知障碍、偏头痛、神经病、神经炎性疾病（包括多发性硬化症和吉兰-巴雷综合征）及病毒性脑炎、脑血管意外和头部创伤的炎症后遗症、焦虑症、压力、癫痫、帕金森氏症、运动障碍和精神分裂症。这些化合物还可用于治疗物质滥用障碍、肥胖症或进食障碍，以及哮喘、便秘、慢性肠假性梗阻和肝硬化的治疗。
• Substituted aryl amides
  申请人：Hagmann K. William

  公开号：US20050154202A1

  公开（公告）日：2005-07-14

  Novel compounds of structural formula (I) are antagonists and/or inverse agonists of the Cannabinoid-1 (CB1) receptor and are useful in the treatment, prevention and suppression of diseases mediated by the CB1 receptor. The compounds of the present invention are useful as psychotropic drugs in the treatment of psychosis, memory deficits, cognitive disorders, migraine, neuropathy, neuro-inflammatory disorders including multiple sclerosis and Guillain-Barre syndrome and the inflammatory sequelae of viral encephalitis, cerebral vascular accidents, and head trauma, anxiety disorders, stress, epilepsy, Parkinson's disease, movement disorders, and schizophrenia. The compounds are also useful for the treatment of substance abuse disorders, the treatment of obesity or eating disorders, as well as, the treatment of asthma, constipation, chronic intestinal pseudo-obstruction, and cirrhosis of the liver.

  结构式（I）的新化合物是大麻素-1（CB1）受体的拮抗剂和/或反向激动剂，可用于治疗、预防和抑制由CB1受体介导的疾病。本发明的化合物可用作精神药物，用于治疗精神病、记忆障碍、认知障碍、偏头痛、神经病、神经炎症性疾病，包括多发性硬化和格林-巴利综合征以及病毒性脑炎、脑血管意外和头部创伤的炎症后遗症、焦虑症、压力、癫痫、帕金森病、运动障碍和精神分裂症。这些化合物还可用于治疗物质滥用障碍、肥胖或进食障碍，以及哮喘、便秘、慢性肠假性梗阻和肝硬化的治疗。