1-Methyl-2-oxocycloheptanessigsaeuremethylester | 58711-24-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 1-Methyl-2-oxocycloheptanessigsaeuremethylester
• 英文别名: 1-methyl-2-oxocycloheptaneacetic acid methyl ester；methyl 2-(1-methyl-2-oxocycloheptyl)acetate
• CAS: 58711-24-3
• 化学式: C₁₁H₁₈O₃
• 分子量: 198.262
• InChiKey: LWYBAKGIRFNUER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-Methyl-2-oxocycloheptanessigsaeuremethylester 以6%的产率得到
  参考文献：
  名称：

  ASSELIN A. A.; HUMBER L. G.; DOBSON T. A.; KOMLOSSY J.; MARTEL R. R., J. MED. CHEM. , 1976, 19, NO 6, 787-792

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(2-oxocycloheptyl)acetonitrile 在 potassium carbonate 作用下， 以 sodium hydroxide 、 水 、 丙酮 、 甲苯 、 苯 为溶剂， 生成 1-Methyl-2-oxocycloheptanessigsaeuremethylester
  参考文献：
  名称：

  Carbazole acetic acid derivatives

  摘要：

  本文介绍了碳骨架上带有烷基、低烯基或低环烷基的四氢环戊[b]吲哚-3-乙酸、四氢咔唑-1-乙酸和六氢环庚[b]-吲哚-6-乙酸衍生物。这些化合物是有用的抗炎药物，本文还描述了它们的制备和使用方法。

  公开号：

  US04057559A1

文献信息

• Tricyclic alkylamine derivatives
  申请人：Ayerst McKenna & Harrison Ltd.

  公开号：US04128560A1

  公开（公告）日：1978-12-05

  Tricyclic alkylamines, and their acid addition salts with pharmaceutically acceptable acids, are disclosed. The tricyclic ring system for these compounds is selected from the group consisting of 1,2,3,4-tetrahydrocyclopent[b]indole, 1,2,3,4-tetrahydrocarbazole and 5,6,7,8,9,10-hexahydrocyclohept[b]indole. The compounds are characterized further in that the ring system carbon atom bearing the alkylamine residue is carbon atom 3, 1 and 6 in the respective ring systems and in each case the said carbon atom also is substituted with a lower alkyl. The tricyclic alkylamines are useful antidepressant agents. Methods for their preparation and use are disclosed.

  本文介绍了三环烷基胺及其与药学上可接受的酸形成的酸盐。这些化合物的三环环系统选自以下组合：1,2,3,4-四氢环戊[b]吲哚、1,2,3,4-四氢咔唑和5,6,7,8,9,10-六氢环庚[b]吲哚。这些化合物的特点在于，携带烷基胺残基的环系统碳原子分别为3号、1号和6号碳原子，并且每种情况下该碳原子也被低级烷基取代。这些三环烷基胺是有用的抗抑郁剂。本文还介绍了它们的制备方法和用途。
• Cycloalkanoindoles. 1. Syntheses and antiinflammatory actions of some acidic tetrahydrocarbazoles, cyclopentindoles, and cycloheptindoles
  作者：Andre A. Asselin、Leslie G. Humber、Thomas A. Dobson、Jacqueline Komlossy、Rene R. Martel

  DOI：10.1021/jm00228a010

  日期：1976.6

  A novel series of acidic cycloalkanoindoles comprising tetrahydrocarbazole-, cyclopentindole-, and cycloheptindole-1-acetic acids has been synthesized via the Fischer indolization between a phenylhydrazine and a 1-alkyl-2-oxocycloalkaneacetic acid ester. These compounds were evaluated, orally, for their capacities to decrease estabished adjuvant arthritis in rats. The most active compound of the series was 1-ethyl-8-n-propyl-1,2,3,4-tetrahydrocarbazole-1-acetic acid (AY-24 873),which had an ED50 of 1.1 +/- 0.2 mg/kg. AY-24 873 was also studied orally in rats for its effect on the acute inflammatory response in the carrageenin paw edema test. It was found that AY-24 873 was about ten times more active against the chromic than against the acute models of inflammation used.
• ASSELIN A. A.; HUMBER L. G.; KOMLOSSY J.; CHAREST M.-P., J. MED. CHEM. <JMCM-AR>, 1976, 19, NO 6, 792-797
  作者：ASSELIN A. A.、 HUMBER L. G.、 KOMLOSSY J.、 CHAREST M.-P.

  DOI：——

  日期：——
• US4057559A
  申请人：——

  公开号：US4057559A

  公开（公告）日：1977-11-08
• US4128560A
  申请人：——

  公开号：US4128560A

  公开（公告）日：1978-12-05