[2-[[2-tert-butylsulfanyl-1-(4-methoxyphenyl)ethyl](2,2,2-trichloroethoxycarbonyl)amino]acetylamino]acetic acid ethyl ester | 628298-11-3

• 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: [2-[[2-tert-butylsulfanyl-1-(4-methoxyphenyl)ethyl](2,2,2-trichloroethoxycarbonyl)amino]acetylamino]acetic acid ethyl ester
• 英文别名: Ethyl 2-[[2-[[2-tert-butylsulfanyl-1-(4-methoxyphenyl)ethyl]-(2,2,2-trichloroethoxycarbonyl)amino]acetyl]amino]acetate
• CAS: 628298-11-3
• 化学式: C₂₂H₃₁Cl₃N₂O₆S
• 分子量: 557.923
• InChiKey: JMOFRUWXFVWQTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  34
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  120
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  [2-[[2-tert-butylsulfanyl-1-(4-methoxyphenyl)ethyl](2,2,2-trichloroethoxycarbonyl)amino]acetylamino]acetic acid ethyl ester 在 溶剂黄146 、 镉 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.75h， 以97%的产率得到[2-[2-tert-butylsulfanyl-1-(4-methoxyphenyl)ethylamino]acetylamino]acetic acid ethyl ester
  参考文献：
  名称：

  Derivatized Amino Acids Relevant to Native Peptide Synthesis by Chemical Ligation and Acyl Transfer

  摘要：

  Three amino acids were converted into the derivatives 5.2 (from glycine), 6.4a and 6.4b (from alanine), and 8.3a and 8.3b (from O-benzyl serine). These N-alkylated amino acids, which can be deprotected after conversion of the carboxyl into an amide, correspond to the general structure 2.1, a compound class of use in the study of peptide segment coupling by the ligation-acyl transfer method.

  DOI：

  10.1021/jo030192r
• 作为产物：
  描述：

  [2-tert-butylsulfanyl-1-(4-methoxyphenyl)ethylamino]acetic acid ethyl ester 在 sodium hydroxide 、 potassium carbonate 、 sodium chloride 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 18.75h， 生成 [2-[[2-tert-butylsulfanyl-1-(4-methoxyphenyl)ethyl](2,2,2-trichloroethoxycarbonyl)amino]acetylamino]acetic acid ethyl ester
  参考文献：
  名称：

  Derivatized Amino Acids Relevant to Native Peptide Synthesis by Chemical Ligation and Acyl Transfer

  摘要：

  Three amino acids were converted into the derivatives 5.2 (from glycine), 6.4a and 6.4b (from alanine), and 8.3a and 8.3b (from O-benzyl serine). These N-alkylated amino acids, which can be deprotected after conversion of the carboxyl into an amide, correspond to the general structure 2.1, a compound class of use in the study of peptide segment coupling by the ligation-acyl transfer method.

  DOI：

  10.1021/jo030192r