Methyl 2-amino-2-[3-(1-amino-2-methoxy-2-oxoethyl)phenyl]acetate | 756415-84-6

• 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
• 英文名称: Methyl 2-amino-2-[3-(1-amino-2-methoxy-2-oxoethyl)phenyl]acetate
• CAS: 756415-84-6
• 化学式: C₁₂H₁₆N₂O₄
• 分子量: 252.27
• InChiKey: YIFFRNCIYTUYAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  在 甲酸 、 锌 作用下， 以92%的产率得到Methyl 2-amino-2-[3-(1-amino-2-methoxy-2-oxoethyl)phenyl]acetate
  参考文献：
  名称：

  Conformationally constrained diketopimelic acid analogues as inhibitors of dihydrodipicolinate synthase

  摘要：

  Dihydrodipicolinate synthase (DHDPS) is a key enzyme in lysine biosynthesis and a potential antibiotic target. The enzyme catalyses the condensation of (S)-aspartate semi-aldehyde (ASA) and pyruvate to form dihydrodipicolinate. Constrained diketopimelic acid derivatives have been designed as mimics of the acyclic enzyme-bound condensation product of ASA and pyruvate. Several of the compounds are shown to be active, slow-binding inhibitors with improved inhibition of DHDPS. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.108

文献信息

• Method for producing carbamates and method for producing isocyanates
  申请人：——

  公开号：US20030125579A1

  公开（公告）日：2003-07-03

  A method for producing carbamates that enables carbamates to be produced at low costs, with high selectivity and high yield, and in a simple manner, and a method for producing isocyanates that enables isocyanates industrially used to be produced by using the carbamates obtained by the carbamates producing method. Nonaromatic amine selected from the group consisting of aliphatic amine, alicyclic amine, and aralkyl amine is allowed to react with alkylaryl carbonate to thereby produce carbamates. Also, the carbamates thus obtained are thermally decomposed to thereby produce isocyanates. When carbamates are produced in this method, alkyl carbamates can be obtained with high selectivity and at high yield by using simple equipment. Also, when isocyanates are produced in this method, polyisocyanates used industrially as the raw material of polyurethane can be produced in a simple manner and with efficiency.

  一种生产氨基甲酸酯的方法，可以以低成本、高选择性和高收率、简单的方式生产氨基甲酸酯，以及一种生产异氰酸酯的方法，通过使用由氨基甲酸酯生产方法获得的氨基甲酸酯来工业化生产异氰酸酯。从脂肪胺、脂环胺和芳基胺组成的群体中选择非芳香族胺与烷基芳基碳酸酯反应，从而生产氨基甲酸酯。此外，通过热分解所获得的氨基甲酸酯可以生产异氰酸酯。在这种方法中生产氨基甲酸酯时，可以通过使用简单设备以高选择性和高收率获得烷基氨基甲酸酯。此外，在这种方法中生产异氰酸酯时，可以以简单方式和高效率生产作为聚氨酯原料的工业用多异氰酸酯。
• XYLYLENE DICARBAMATE, METHOD FOR PRODUCING XYLYLENE DIISOCYANATE, XYLYLENE DIISOCYANATE, AND METHOD FOR PRESERVING XYLYLENE DICARBAMATE
  申请人：Mitsui Chemicals, Inc.

  公开号：EP2982665B1

  公开（公告）日：2018-06-27
• US7122697B2
  申请人：——

  公开号：US7122697B2

  公开（公告）日：2006-10-17