(S)-methyl 4-(4-chlorophenyl)-2-methoxycarbonylamino-4-oxobutanoate | 358349-89-0

• 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: (S)-methyl 4-(4-chlorophenyl)-2-methoxycarbonylamino-4-oxobutanoate
• 英文别名: methyl (2S)-4-(4-chlorophenyl)-2-(methoxycarbonylamino)-4-oxobutanoate
• CAS: 358349-89-0
• 化学式: C₁₃H₁₄ClNO₅
• 分子量: 299.711
• InChiKey: LMSOUMREXAXFNO-JTQLQIEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  81.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (S)-methyl 4-(4-chlorophenyl)-2-methoxycarbonylamino-4-oxobutanoate 在 三乙基硅烷 、 三氟甲磺酸三甲基硅酯 、 四氯化钛 作用下， 以 二氯甲烷 为溶剂， 反应 20.0h， 以84%的产率得到(S)-methyl 4-(4-chlorophenyl)-2-(methoxycarbonylamino)-butanoate
  参考文献：
  名称：

  Reduction of carboxylic esters to ethers with triethyl silane in the combined use of titanium tetrachloride and trimethylsilyl trifluoromethanesulfonate

  摘要：

  Aliphatic acyclic and cyclic ethers are prepared on treatment of their corresponding carboxylic esters and lactones with triethylsilane in the presence of titanium tetrachloride and trimethylsilyl trifluoromethanesulfonate. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00420-3
• 作为产物：
  描述：

  甲醇 、 (S)-4-(4-chlorophenyl)-2-methoxycarbonylamino-4-oxobutanoic acid 在 氯化亚砜 作用下， 以95%的产率得到(S)-methyl 4-(4-chlorophenyl)-2-methoxycarbonylamino-4-oxobutanoate
  参考文献：
  名称：

  Reduction of carboxylic esters to ethers with triethyl silane in the combined use of titanium tetrachloride and trimethylsilyl trifluoromethanesulfonate

  摘要：

  Aliphatic acyclic and cyclic ethers are prepared on treatment of their corresponding carboxylic esters and lactones with triethylsilane in the presence of titanium tetrachloride and trimethylsilyl trifluoromethanesulfonate. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00420-3

文献信息

• Reduction of carboxylic esters to ethers with triethyl silane in the combined use of titanium tetrachloride and trimethylsilyl trifluoromethanesulfonate
  作者：Michihisa Yato、Koichi Homma、Akihiko Ishida

  DOI：10.1016/s0040-4020(01)00420-3

  日期：2001.6

  Aliphatic acyclic and cyclic ethers are prepared on treatment of their corresponding carboxylic esters and lactones with triethylsilane in the presence of titanium tetrachloride and trimethylsilyl trifluoromethanesulfonate. (C) 2001 Elsevier Science Ltd. All rights reserved.