2-nitro-benzoic acid-[bis-(2-chloro-ethyl)-amide] | 117500-13-7

• 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: 2-nitro-benzoic acid-[bis-(2-chloro-ethyl)-amide]
• 英文别名: 2-Nitro-benzoesaeure-[bis-(2-chlor-aethyl)-amid]；N,N-bis(2-chloroethyl)-2-nitrobenzamide
• CAS: 117500-13-7
• 化学式: C₁₁H₁₂Cl₂N₂O₃
• mdl: MFCD26144689
• 分子量: 291.134
• InChiKey: QPRRTJHYSKVXSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  66.1
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Asymmetric process for the preparation of diarylethylpiperazines derivatives and novel asymmetric diarylmethylamines as intermediates
  申请人：——

  公开号：US20040077861A1

  公开（公告）日：2004-04-22

  An asymmetric synthesis of diarylmethylpiperazines is described. The synthetic route enables preparation of a variety of enatiomerically pure amines with different N-alkyl groups. The invention includes an asymmetric addition of organometallic compounds to chiral sulfinimine to give adducts in predominantly one diastereomer can subsequently be transferred into pure enantiomers of by cleavage of the chiral auxilliary which is followed by synthesis of the piperazine ring by alkylation procedures.

  本文介绍了一种二苯甲基哌嗪的不对称合成方法。该合成路线可以制备具有不同N-烷基的对映纯氨基化合物。该发明包括有机金属化合物不对称加成到手性亚磺酰胺中，形成主要一种对映异构体的加合物，随后通过手性辅助基的裂解转化为纯对映体，再通过烷基化方法合成哌嗪环。
• NEW ASYMMETRIC PROCESS FOR THE PREPARATION OF DIARYLMETHYLPIPERAZINES DERIVATIVES AND NOVEL ASYMMETRIC DIARYLMETYLAMINES AS INTERMEDIATES
  申请人：AstraZeneca AB

  公开号：EP1368325B1

  公开（公告）日：2008-08-27
• US7045625B2
  申请人：——

  公开号：US7045625B2

  公开（公告）日：2006-05-16
• US7423154B2
  申请人：——

  公开号：US7423154B2

  公开（公告）日：2008-09-09
• [EN] NEW ASYMMETRIC PROCESS FOR THE PREPARATION OF DIARYLMETHYLPIPERAZINES DERIVATIVES AND NOVEL ASYMMETRIC DIARYLMETYLAMINES AS INTERMEDIATES<br/>[FR] NOUVEAU PROCEDE ASYMETRIQUE DE PREPARATION DE DERIVES DE DIARYLMETHYLPIPERAZINES ET NOUVELLES DIARYLMETHYLAMINES ASYMETRIQUES EN TANT QU'INTERMEDIAIRES
  申请人：ASTRAZENECA AB

  公开号：WO2002070492A1

  公开（公告）日：2002-09-12

  An asymmetric synthesis of diarylmethylpiperazines is described. The synthetic route enables preparation of a variety of enatiomerically pure amines with different N-alkyl groups. The invention includes an asymmetric addition of organometallic compounds to chiral sulfinimine to give adducts in predominantly one diastereomer can subsequently be transferred into pure enantiomers of by cleavage of the chiral auxilliary which is followed by synthesis of the piperazine ring by alkylation procedures.