tert-Butyl 2-(N-(2-(4-Chlorophenoxy)ethyl)-N-methylsulfamoylmethyl)-3-methylbutanoate | 224178-05-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: tert-Butyl 2-(N-(2-(4-Chlorophenoxy)ethyl)-N-methylsulfamoylmethyl)-3-methylbutanoate
• 英文别名: Tert-butyl 2-[[2-(4-chlorophenoxy)ethyl-methylsulfamoyl]methyl]-3-methylbutanoate
• CAS: 224178-05-6
• 化学式: C₁₉H₃₀ClNO₅S
• 分子量: 419.97
• InChiKey: DEVPNQSUMCQMHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  27
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  81.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-Butyl 2-(N-(2-(4-Chlorophenoxy)ethyl)-N-methylsulfamoylmethyl)-3-methylbutanoate 在 草酰氯 、 N,N-二甲基甲酰胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 2-(N-Methyl-N-(2-(4-chlorophenoxy)ethyl)-sulfamoylmethyl)-3-methylbutanoic Acid N-Hydroxy Amide
  参考文献：
  名称：

  An enantioselective synthesis of sulphonamide hydroxamic acids as matrix metalloproteinase inhibitors

  摘要：

  A high yielding and enantioselective synthesis of alpha-substituted hydroxamic acids as inhibitors of matrix metalloproteinases is described. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(01)02151-7
• 作为产物：
  描述：

  [2-(4-氯苯氧基)乙基](甲基)胺 、 2-chlorosulfonylmethyl-3-methyl-butyric acid tert-butyl ester 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以95%的产率得到tert-Butyl 2-(N-(2-(4-Chlorophenoxy)ethyl)-N-methylsulfamoylmethyl)-3-methylbutanoate
  参考文献：
  名称：

  An enantioselective synthesis of sulphonamide hydroxamic acids as matrix metalloproteinase inhibitors

  摘要：

  A high yielding and enantioselective synthesis of alpha-substituted hydroxamic acids as inhibitors of matrix metalloproteinases is described. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(01)02151-7

文献信息

• Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity
  申请人：Darwin Discovery, Ltd.

  公开号：US06187924B1

  公开（公告）日：2001-02-13

  Compounds of formula (I) are useful as therapeutic agents, by virtue of having MMP and TNF inhibitory activity.

  化学式为(I)的化合物由于具有MMP和TNF抑制活性而作为治疗剂具有用处。
• HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY
  申请人：Darwin Discovery Limited

  公开号：EP1030836B1

  公开（公告）日：2003-01-29
• An enantioselective synthesis of sulphonamide hydroxamic acids as matrix metalloproteinase inhibitors
  作者：Robert J. Watson、D. Batty、A.D. Baxter、D.R. Hannah、D.A. Owen、J.G. Montana

  DOI：10.1016/s0040-4039(01)02151-7

  日期：2002.1

  A high yielding and enantioselective synthesis of alpha-substituted hydroxamic acids as inhibitors of matrix metalloproteinases is described. (C) 2002 Published by Elsevier Science Ltd.