2-氨基甲酰基环戊烯-1-羧酸 | 62291-37-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2-氨基甲酰基环戊烯-1-羧酸
• 中文别名: （2-carbamoylcyclopent-1-烯-1-羧酸）
• 英文名称: 2-carbamoyl-cyclopent-1-enecarboxylic acid
• 英文别名: 2-Carbamoyl-cyclopent-1-encarbonsaeure；2-Carbamoylcyclopent-1-ene-1-carboxylic acid；2-carbamoylcyclopentene-1-carboxylic acid
• CAS: 62291-37-6
• 化学式: C₇H₉NO₃
• 分子量: 155.153
• InChiKey: ZGZGSVUHXOVDSL-UHFFFAOYSA-N

物化性质

• 熔点：
  233 °C(Solv: water (7732-18-5))
• 沸点：
  404.6±45.0 °C(Predicted)
• 密度：
  1.427±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  80.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-cyano-cyclopent-1-enecarboxylic acid ethyl ester 在 盐酸 、 sodium hydroxide 作用下， 生成 2-氨基甲酰基环戊烯-1-羧酸
  参考文献：
  名称：

  Trave et al., Chimica e l'Industria (Milan, Italy), 1958, vol. 40, p. 887,893

  摘要：

  DOI：

文献信息

• Novel calcium salts of Compound as Anti-Inflammatory, Immunomodulatory and Anti-Proliferatory Agents
  申请人：AMMENDOLA Aldo

  公开号：US20120029034A1

  公开（公告）日：2012-02-02

  The present invention relates to calcium salts of compounds of the general formula (I) wherein X is selected from the group consisting of CH 2 , S, or O; D is O or S; R 8 is hydrogen or alkyl; E is an optionally substituted phenylene group; Y is a monocyclic or bicyclic substituted or unsubstituted 6-9 membered ring system which may contain one or more heteroatoms selected from N or S and which contains at least one aromatic ring; n is 0 or 1, and q is 0 or 1; with the proviso that compounds wherein X═CH 2 , q=0, Y=unsubstituted phenyl and E=unsubstituted phenylene are excluded; or a hydrate thereof.
• Novel salts as Anti-Inflammatory, Immunomodulatory and Anti-Proliferatory Agents
  申请人：AMMENDOLA Aldo

  公开号：US20120035175A1

  公开（公告）日：2012-02-09

  The present invention relates to a salt selected from the group comprising the N-methyl-D-glucamine salt (NMG), the diethylamine salt (DEA) salt, the magnesium salt, the tromethamine salt, the choline salt, the L-arginine salt, the zinc salt, and the 4-(2-hydroxyethyl)morpholine (HEM) salt of compounds of the general formula (I) wherein X is selected from the group consisting of CH 2 , S, or O; D is O or S; R 8 is hydrogen or alkyl; E is an optionally substituted phenylene group; Y is a monocyclic or bicyclic substituted or unsubstituted 6-9 membered ring system which may contain one or more heteroatoms selected from N or S and which contains at least one aromatic ring; n is 0 or 1; and q is 0 or 1; with the proviso that compounds wherein X═CH 2 , q=0, Y=unsubstituted phenyl and E=unsubstituted phenylene are excluded; or a hydrate thereof.
• US7645771B2
  申请人：——

  公开号：US7645771B2

  公开（公告）日：2010-01-12
• US8653138B2
  申请人：——

  公开号：US8653138B2

  公开（公告）日：2014-02-18
• Trave et al., Chimica e l'Industria (Milan, Italy), 1958, vol. 40, p. 887,893
  作者：Trave et al.

  DOI：——

  日期：——