N-[3-(3-phenyloxyphenyl)acryloyl]aspartic acid dimethyl ester

• 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: N-[3-(3-phenyloxyphenyl)acryloyl]aspartic acid dimethyl ester
• 英文别名: (S)-N-3-phenoxycinnamoylaspartic acid dimethyl ester
• 化学式: C₂₁H₂₁NO₆
• 分子量: 383.401
• InChiKey: KVSKXBZIAXHRAI-DXRVJIQQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.71
• 重原子数：
  28.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  90.93
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N-[3-(3-phenyloxyphenyl)acryloyl]aspartic acid dimethyl ester 在 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以97%的产率得到
  参考文献：
  名称：

  Aromatic carboxylic acids as farnesyl surrogates in farnesylpyrophosphate-based farnesyltransferase inhibitors

  摘要：

  With the help of easily obtainable N-acylaspartic acids, the 4-phenylcinnamoyl and the 4-benzyloxycinnamoyl moiety were identified as structurally simple, readily available farnesyl surrogates? yielding more potent inhibitors of farnesyltransferase than the literature known N-farnesoylaspartic acid. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00191-1
• 作为产物：
  描述：

  3-(3-苯氧基苯基)丙烯酸 、 L-天冬氨酸二甲酯盐酸盐 在 N-甲基吗啉 、 氯甲酸异丁酯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.08h， 以52%的产率得到N-[3-(3-phenyloxyphenyl)acryloyl]aspartic acid dimethyl ester
  参考文献：
  名称：

  Aromatic carboxylic acids as farnesyl surrogates in farnesylpyrophosphate-based farnesyltransferase inhibitors

  摘要：

  With the help of easily obtainable N-acylaspartic acids, the 4-phenylcinnamoyl and the 4-benzyloxycinnamoyl moiety were identified as structurally simple, readily available farnesyl surrogates? yielding more potent inhibitors of farnesyltransferase than the literature known N-farnesoylaspartic acid. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00191-1