2,2,2-trifluoroethyl {(1S)-1-methyl-2-[(4-methylbenzoyl)amino]ethyl}carbamate | 951242-85-6

• 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: 2,2,2-trifluoroethyl {(1S)-1-methyl-2-[(4-methylbenzoyl)amino]ethyl}carbamate
• 英文别名: (2S)-N1-p-toluoyl-N2-(2,2,2-trifluoroethoxycarbonyl)-1,2-propanediamine；(2S)-N1-toluoyl-N2-(2,2,2-trifluoroethoxycarbonyl)propane-1,2-diamine；(2S)-N1-p-toluoyl-N2-(2,2,2-trifluoroethoxycarbonyl)propane-1,2-diamine；2,2,2-trifluoroethyl N-[(2S)-1-[(4-methylbenzoyl)amino]propan-2-yl]carbamate
• CAS: 951242-85-6
• 化学式: C₁₄H₁₇F₃N₂O₃
• 分子量: 318.296
• InChiKey: CZICVUFDDDYAEE-JTQLQIEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  67.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-(2,2,2-trifluoroethoxycarbonyl)-L-alanyl chloride 在 ammonium hydroxide 、 草酰氯 、 5%-palladium/activated carbon 、 甲酸铵 、 碳酸氢钠 、 溶剂黄146 作用下， 以 水 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 异丙醇 、 甲苯 为溶剂， 反应 10.0h， 生成 2,2,2-trifluoroethyl {(1S)-1-methyl-2-[(4-methylbenzoyl)amino]ethyl}carbamate
  参考文献：
  名称：

  함불소 카바메이트기를 가지는 아미노산 아미드 유도체의 제조방법, 그 제조 중간체, 및 에틸렌디아민 유도체의 제조방법

  摘要：

  将标记为一般式(1)的化合物与氨反应以制备标记为一般式(2)的化合物的方法。

  公开号：

  KR101492351B1

文献信息

• PROCESS FOR PRODUCTION OF ETHYLENEDIAMINE DERIVATIVES HAVING HALOGENATED CARBAMATE GROUP AND ACYL GROUP, AND INTERMEDIATES FOR PRODUCTION OF THE DERIVATIVES
  申请人：Umetani Hideki

  公开号：US20090281352A1

  公开（公告）日：2009-11-12

  Ethylenedamine derivatives having a halogenated carbamate group and an acyl group can be produced by performing the catalytic hydrogenation of an aminonitrile having a halogen-substituted carbamate group in the presence of an acid and then performing the acylation of the resulting product. The aminonitrile (i.e., a starting material) can be prepared in a high yield by performing the halogenated carbamatation of an amino acid amide in the presence of water and then reacting the resulting product with a deoxidizing agent such as a vilsmeier reagent.

  具有卤代氨基甲酸酯基团和酰基团的乙二胺衍生物可以通过在酸的存在下对具有卤代氨基甲酸酯基团的氨基腈进行催化氢化，然后对所得产物进行酰化来制备。氨基腈（即起始物质）可以通过在水的存在下进行氨基酸酰胺的卤代氨基甲酸酯化反应，然后与维尔斯迈尔试剂等脱氧剂反应，高产率地制备。
• PROCESS FOR PRODUCTION OF ETHYLENEDIAMINE DERIVATIVE HAVING HALOGENATED CARBAMATE GROUP AND ACYL GROUP, AND INTERMEDIATED FOR PRODUCTION OF THE DERIVATIVE
  申请人：Mitsui Chemicals, Inc.

  公开号：EP2008997A1

  公开（公告）日：2008-12-31

  Ethylenedamine derivatives having a halogenated carbamate group and an acyl group can be produced by performing the catalytic hydrogenation of an aminonitrile having a halogen-substituted carbamate group in the presence of- an acid and then performing the acylation of the resulting product. The aminonitrile (i.e., a starting material) can be prepared in a high yield by performing the halogenated carbamatation of an amino acid amide in the presence of water and then reacting the resulting product with a deoxidizing agent such as a vilsmeier reagent.

  具有卤代氨基甲酸酯基团和酰基的乙二胺衍生物可通过在酸存在下对具有卤代氨基甲酸酯基团的氨基腈进行催化氢化反应，然后对所得产物进行酰化反应制得。氨基腈（即起始原料）可以通过在有水的情况下对氨基酸酰胺进行卤代氨基甲酸化反应，然后使所得产物与脱氧剂（如维尔斯梅尔试剂）反应，从而以较高的产率制备。
• 함불소 카바메이트기를 가지는 아미노산 아미드 유도체의 제조방법, 그 제조 중간체, 및 에틸렌디아민 유도체의 제조방법
  申请人：MITSUI CHEMICALS AGRO, INC. 미쓰이가가쿠 아그로 가부시키가이샤(520030314551)

  公开号：KR101492351B1

  公开（公告）日：2015-02-10

  일반식(1)로 표시되는 화합물을, 암모니아와 반응시키는 것에 의해 일반식(2)로 표시되는 화합물을 제조하는 방법.

  将标记为一般式(1)的化合物与氨反应以制备标记为一般式(2)的化合物的方法。