3-methyl-4-oxo-1,2,3,4-tetrahydro-[2]naphthoic acid | 856078-14-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-methyl-4-oxo-1,2,3,4-tetrahydro-[2]naphthoic acid
• 英文别名: 3-Methyl-4-oxo-1,2,3,4-tetrahydro-[2]naphthoesaeure；3-methyl-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylic acid
• CAS: 856078-14-3
• 化学式: C₁₂H₁₂O₃
• 分子量: 204.225
• InChiKey: STLLISJYFRHOLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-methyl-4-oxo-1,2,3,4-tetrahydro-[2]naphthoic acid 在 platinum(IV) oxide 盐酸 、 氢气 、 羟胺 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Tricyclic cyanoguanidines: synthesis, site of action and insecticidal activity of a novel class of reversible acetylcholinesterase inhibitors

  摘要：

  Bridged-tricyclic cyanoguanidines 1 were found to be active as insecticides. The preparation and structure-activity relationships of oxacyclic (X=O) and carbocyclic (X=CH2) analogues of 1 is described. Compounds 1 were found to inhibit acetylcholinesterase with IC50 values comparable to the organophosphate Paraoxon. Unlike organophosphates. cyanoguanidines 1 were shown to reversibly bind acetylcholinesterase. This mode of action is shared by the structurally-related natural product Huperzine A. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00326-1
• 作为产物：
  描述：

  (3E)-2-甲基-3-(苯基甲亚基)丁二酸 在 palladium on activated charcoal 作用下， 生成 3-methyl-4-oxo-1,2,3,4-tetrahydro-[2]naphthoic acid
  参考文献：
  名称：

  Cyclizations of Benzylsuccinic Acids

  摘要：

  DOI：

  10.1021/ja01140a046

文献信息

• Tricyclic cyanoguanidines: synthesis, site of action and insecticidal activity of a novel class of reversible acetylcholinesterase inhibitors
  作者：Bruce L. Finkelstein、Eric A. Benner、Maura C. Hendrixson、Kevin T. Kranis、James J. Rauh、Maya R. Sethuraman、Stephen F. McCann

  DOI：10.1016/s0968-0896(01)00326-1

  日期：2002.3

  Bridged-tricyclic cyanoguanidines 1 were found to be active as insecticides. The preparation and structure-activity relationships of oxacyclic (X=O) and carbocyclic (X=CH2) analogues of 1 is described. Compounds 1 were found to inhibit acetylcholinesterase with IC50 values comparable to the organophosphate Paraoxon. Unlike organophosphates. cyanoguanidines 1 were shown to reversibly bind acetylcholinesterase. This mode of action is shared by the structurally-related natural product Huperzine A. (C) 2002 Elsevier Science Ltd. All rights reserved.
• Cyclizations of Benzylsuccinic Acids
  作者：E. C. Horning、G. N. Walker

  DOI：10.1021/ja01140a046

  日期：1952.10