ethyl 2-{3-[2-(2-chloroacetamido)-2-methylpropyl]phenyl}acetate | 921598-15-4

• 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: ethyl 2-{3-[2-(2-chloroacetamido)-2-methylpropyl]phenyl}acetate
• 英文别名: {3-[2-(2-chloro-acetylamino)-2-methyl-propyl]-phenyl}-acetic acid ethyl ester；Ethyl 2-[3-[2-[(2-chloroacetyl)amino]-2-methylpropyl]phenyl]acetate
• CAS: 921598-15-4
• 化学式: C₁₆H₂₂ClNO₃
• 分子量: 311.809
• InChiKey: NUJRHZVMMDRBIS-UHFFFAOYSA-N

物化性质

• 沸点：
  467.4±40.0 °C(Predicted)
• 密度：
  1.133±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 2-{3-[2-(2-chloroacetamido)-2-methylpropyl]phenyl}acetate 在 溶剂黄146 、 硫脲 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 ethyl [3-(2-amino-2-methylpropyl)phenyl]acetate
  参考文献：
  名称：

  Enzymatic Desymmetrization Route to Ethyl [3-(2-Amino-2-methylpropyl)phenyl]acetate

  摘要：

  An efficient process to ethyl [3-(2-amino-2-methylpropyl)phenyl]acetate 6 has been developed. Key steps include a novel enzymatic desymmetrization of diester 2 and a Ritter reaction between alcohol 4 and chloroacetonitrile, followed by chemoselective deprotection with thiourea.

  DOI：

  10.1021/op200108k
• 作为产物：
  描述：

  [3-(2-hydroxy-2-methylpropyl)phenyl]acetic acid 在 硫酸 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 生成 ethyl 2-{3-[2-(2-chloroacetamido)-2-methylpropyl]phenyl}acetate
  参考文献：
  名称：

  Enzymatic Desymmetrization Route to Ethyl [3-(2-Amino-2-methylpropyl)phenyl]acetate

  摘要：

  An efficient process to ethyl [3-(2-amino-2-methylpropyl)phenyl]acetate 6 has been developed. Key steps include a novel enzymatic desymmetrization of diester 2 and a Ritter reaction between alcohol 4 and chloroacetonitrile, followed by chemoselective deprotection with thiourea.

  DOI：

  10.1021/op200108k

文献信息

• Process for the Preparation of Sulfonamide Derivatives
  申请人：Gladwell Iain Robert

  公开号：US20080193988A1

  公开（公告）日：2008-08-14

  The invention relates to a process for the preparation of compounds of formula (I) wherein Q 1 is a group selected from formulae (II) & (III) and a group *-NR 6 -Q 2 -A or, if appropriate, their pharmaceutically acceptable salts and/or isomers, tautomers, solvates or isotopic variations thereof, as well as intermediates used in said process.

  本发明涉及一种制备式（I）化合物的过程，其中Q1是从式（II）和（III）中选择的基团以及基团*-NR6-Q2-A，或者在适当的情况下，它们的药学上可接受的盐和/或异构体、互变异构体、溶剂化物或同位素变体，以及用于该过程的中间体。
• [EN] PROCESS FOR THE PREPARATION OF SULFONAMIDE DERIVATIVES<br/>[FR] PROCEDE POUR LA PREPARATION DE DERIVES DE SULFONAMIDE
  申请人：PFIZER LTD

  公开号：WO2007010356A3

  公开（公告）日：2007-08-23
• PROCESS FOR THE PREPARATION OF SULFONAMIDE DERIVATIVES
  申请人：Pfizer Limited

  公开号：EP1907356A2

  公开（公告）日：2008-04-09
• Enzymatic Desymmetrization Route to Ethyl [3-(2-Amino-2-methylpropyl)phenyl]acetate
  作者：Pieter D. de Koning、Iain R. Gladwell、Natalie A. Morrison、Ian B. Moses、Maninder S. Panesar、Alan J. Pettman、Nicholas M. Thomson、Daniel R. Yazbeck

  DOI：10.1021/op200108k

  日期：2011.7.15

  An efficient process to ethyl [3-(2-amino-2-methylpropyl)phenyl]acetate 6 has been developed. Key steps include a novel enzymatic desymmetrization of diester 2 and a Ritter reaction between alcohol 4 and chloroacetonitrile, followed by chemoselective deprotection with thiourea.