4-methyl-2-oxa-bicyclo[2.2.2]octan-3-one | 61405-06-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: 4-methyl-2-oxa-bicyclo[2.2.2]octan-3-one
• 英文别名: 1-Hydroxy-4-methyl-4-cyclohexancarbonsaeurelacton；1-Methyl-cyclohexanol-(4)-carbonsaeure-lacton；1-Methylcyclohexanol-(4)-carbonsaeure-lacton；2-Oxabicyclo[2.2.2]octan-3-one, 4-methyl-；4-methyl-2-oxabicyclo[2.2.2]octan-3-one
• CAS: 61405-06-9
• 化学式: C₈H₁₂O₂
• 分子量: 140.182
• InChiKey: WDYOKRWXRZXKRS-UHFFFAOYSA-N

物化性质

• 熔点：
  27-29 °C(Solv: water (7732-18-5); ethanol (64-17-5))
• 沸点：
  96-98 °C(Press: 1 Torr)
• 密度：
  1.0796 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-methyl-2-oxa-bicyclo[2.2.2]octan-3-one 以80%的产率得到
  参考文献：
  名称：

  ISMAJLOV A. G.; PYCTAMOB M. A.; AXMEDOV A. A., AZERB. KIMJA ZH., AZERB. XIM. ZH. , 1976, HO 2, 66-70

  摘要：

  DOI：
• 作为产物：
  描述：

  1-hydroxy-cycloheptanecarbonitrile 在 盐酸 、 二氧化硫 、 氟磺酸 、 溶剂黄146 作用下， 反应 3.0h， 生成 4-methyl-2-oxa-bicyclo[2.2.2]octan-3-one
  参考文献：
  名称：

  Carr, Graham; Whittaker, David, Journal of the Chemical Society. Perkin transactions II, 1987, p. 1877 - 1880

  摘要：

  DOI：

文献信息

• Benzimidazole derivatives
  申请人：——

  公开号：US20030236267A1

  公开（公告）日：2003-12-25

  This invention provides compounds which are represented by a general formula [I] 1 [in which X stands for hydrogen or halogen; B stands for halogen, cyano or optionally fluorine-substituted lower alkyl; D stands for a 3-10 membered aliphatic nitrogen-containing heterocyclic group; R 3 , R 4 and R 5 may be same or different, and each stands for hydrogen, lower alkyl optionally having substituent group(s) and the like; and a is 0 or 1]. These compounds exhibit high affinity to nociceptin receptors and whereby inhibit actions of nociceptin, and are useful as an analgesic, antiobestic, agent for ameliorating brain function, treating agents for Alzheimer's disease and dementia, and therapeutic agents for schizophrenia, neurodegenerative diseases, depression, diabetes insipidus, polyuria, hypotension and the like.

  这项发明提供了一些化合物，它们由一般式[I]1表示，其中X代表氢或卤素；B代表卤素、氰基或者可选的含氟低碳基；D代表一个3-10个成员的脂肪氮杂环基团；R3、R4和R5可能相同也可能不同，每个代表氢、可选的取代基的低碳基等；a为0或1。这些化合物表现出高亲和力对于痛觉受体，并抑制痛觉素的作用，因此可用作镇痛剂、抗肥胖剂、改善脑功能的药物、治疗阿尔茨海默病和痴呆症的药物、以及治疗精神分裂症、神经退行性疾病、抑郁症、尿崩症、多尿症、低血压等的治疗剂。
• NOVEL COMPOUNDS AND USE THEREOF AS MEDICINE
  申请人：TSUMURA & CO.

  公开号：EP0535250A1

  公开（公告）日：1993-04-07

  Specified cinnamic acid derivatives, such as methyl 4-(4-acetoxy-3-methoxycinnamamide)-1-methyl-1-cyclohexanecarboxylate, and pharmaceutically acceptable salts thereof, which are useful as an allergy type IV reaction inhibitor.

  特定肉桂酸衍生物，如 4-(4-乙酰氧基-3-甲氧基肉桂酰胺)-1-甲基-1-环己烷羧酸甲酯及其药学上可接受的盐，可用作 IV 型过敏反应抑制剂。
• New cannamide derivatives and their use as allergy inhibitors
  申请人：TSUMURA & CO.

  公开号：EP0705817A1

  公开（公告）日：1996-04-10

  New cinnamic acid derivatives, such as methyl 4-(4-acetoxy-3-methoxycinnamanide)-1-cyclohexanecarboxylate, and pharmaceutically acceptable salts thereof, are useful as IV-type allergic reaction-suppressive drugs.

  新型肉桂酸衍生物，如 4-(4-乙酰氧基-3-甲氧基肉桂酸)-1-环己烷羧酸甲酯及其药学上可接受的盐类，可用作 IV 型过敏反应抑制药物。
• BENZIMIDAZOLE DERIVATIVES
  申请人：BANYU PHARMACEUTICAL CO., LTD.

  公开号：EP1505063A1

  公开（公告）日：2005-02-09

  This invention provides compounds which are represented by a general formula [I]    [in which X stands for hydrogen or halogen; B stands for halogen, cyano or optionally fluorine-substituted lower alkyl; D stands for a 3-10 membered aliphatic nitrogen-containing heterocyclic group; R3, R4 and R5 may be same or different, and each stands for hydrogen, lower alkyl optionally having substituent group(s) and the like; and a is 0 or 1]. These compounds exhibit high affinity to nociceptin receptors and whereby inhibit actions of nociceptin, and are useful as an analgesic, antiobestic, agent for ameliorating brain function, treating agents for Alzheimer's disease and dementia, and therapeutic agents for schizophrenia, neurodegenerative diseases, depression, diabetes insipidus, polyuria, hypotension and the like.

  本发明提供了通式[I]表示的化合物。 [其中，X 代表氢或卤素；B 代表卤素、氰基或任选由氟取代的低级烷基；D 代表 3-10 位脂肪族含氮杂环基团；R3、R4 和 R5 可以相同或不同，各自代表氢、任选具有取代基团的低级烷基等；a 为 0 或 1]。这些化合物对痛觉素受体具有高亲和力，从而抑制痛觉素的作用，可用作镇痛剂、抗镇静剂、改善脑功能的药物、治疗阿尔茨海默病和痴呆症的药物，以及精神分裂症、神经退行性疾病、抑郁症、糖尿病、多尿症、低血压等疾病的治疗药物。
• Ismailov, A. G.; Rustamov, M. A.; Akhmedov, A. A., Journal of Organic Chemistry USSR (English Translation), 1980, p. 64 - 69
  作者：Ismailov, A. G.、Rustamov, M. A.、Akhmedov, A. A.

  DOI：——

  日期：——