methyl 3-chloro-2-isopropylaminoanthranilate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl 3-chloro-2-isopropylaminoanthranilate
• 英文别名: Methyl 3-chloro-2-(isopropylamino)benzoate；methyl 3-chloro-2-(propan-2-ylamino)benzoate
• 化学式: C₁₁H₁₄ClNO₂
• 分子量: 227.691
• InChiKey: VBBVNCTZVJWNNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  methyl 1,3,3-trichloro-2-(isopropylimino)cyclohexanecarboxylate 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 6.0h， 以45%的产率得到methyl 3-chloro-2-isopropylaminoanthranilate
  参考文献：
  名称：

  Synthesis of 3-chloroanthranilates from α,γ,γ-trichloro-β-iminoesters

  摘要：

  3-Chloroanthranilates have been prepared by a short pathway involving dehydrohalogenation of alpha,gamma,gamma -trichloro-beta -iminoesters, which were obtained by trihalogenation of the corresponding enaminoesters. This route opens the way to a number of previously unknown functionalised anthranilates, which are potential starting materials for a variety of heterocyclic and biologically interesting compounds. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00750-5

文献信息

• [EN] 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIIA INHIBITORS<br/>[FR] DERIVES DE 4-AMINOMETHYL BENZAMIDINE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DU FACTEUR VIIA
  申请人：HOFFMANN LA ROCHE

  公开号：WO2006027135A1

  公开（公告）日：2006-03-16

  The invention is concerned with novel 4-aminomethyl benzamidine derivatives of formula (I) wherein Ar and X are as defined in the description and in the claims, as well as prodrugs and pharmaceutically acceptable salts thereof. These compounds inhibit the formation of coagulation factors Xa, IXa and thrombin induced by factor VIIa and tissue factor and can be used as medicaments.

  这项发明涉及新颖的式(I)的4-氨甲基苯甲酰胺衍生物，其中Ar和X如描述和索赔中定义，以及它们的前药和药学上可接受的盐。这些化合物抑制由VIIa因子和组织因子诱导的凝血因子Xa、IXa和凝血酶的形成，并可用作药物。
• 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIA INHIBITORS
  申请人：F. Hoffmann-Roche AG

  公开号：EP1791810A1

  公开（公告）日：2007-06-06
• Synthesis of 3-chloroanthranilates from α,γ,γ-trichloro-β-iminoesters
  作者：Christian V Stevens、Bart Kesteleyn、Erick Rosas Alonso、Norbert De Kimpe

  DOI：10.1016/s0040-4020(01)00750-5

  日期：2001.9

  3-Chloroanthranilates have been prepared by a short pathway involving dehydrohalogenation of alpha,gamma,gamma -trichloro-beta -iminoesters, which were obtained by trihalogenation of the corresponding enaminoesters. This route opens the way to a number of previously unknown functionalised anthranilates, which are potential starting materials for a variety of heterocyclic and biologically interesting compounds. (C) 2001 Elsevier Science Ltd. All rights reserved.

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