(NE,S)-4-methyl-N-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butylidene]benzenesulfinamide | 1029042-32-7

• 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: (NE,S)-4-methyl-N-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butylidene]benzenesulfinamide
• CAS: 1029042-32-7
• 化学式: C₁₃H₁₃F₆NOS
• 分子量: 345.309
• InChiKey: GLQRFTQJXNMQGE-WXXWBPKISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  48.6
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (NE,S)-4-methyl-N-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butylidene]benzenesulfinamide 在 硫酸 、 异丙醇 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 3.25h， 生成 (2S)-2-amino-5,5,5-trifluoro-3-(2,2,2-trifluoroethyl)-pentanoic acid
  参考文献：
  名称：

  Asymmetric synthesis of novel α-amino acids with β-branched side chains

  摘要：

  An asymmetric synthesis of alpha-amino acids with novel beta-branched side chains has been implemented. The syntheses feature a p-toluenesulfinylimine induced chiral Strecker approach and were found to be applicable to the introduction of both aliphatic and aromatic P-branched sidechains for preparation of previously unknown alpha-amino acids. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.041
• 作为产物：
  描述：

  4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butyric acid ethyl ester 在 titanium(IV) tetraethanolate 、 lithium aluminium tetrahydride 、 戴斯-马丁氧化剂 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 5.0h， 生成 (NE,S)-4-methyl-N-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butylidene]benzenesulfinamide
  参考文献：
  名称：

  Asymmetric synthesis of novel α-amino acids with β-branched side chains

  摘要：

  An asymmetric synthesis of alpha-amino acids with novel beta-branched side chains has been implemented. The syntheses feature a p-toluenesulfinylimine induced chiral Strecker approach and were found to be applicable to the introduction of both aliphatic and aromatic P-branched sidechains for preparation of previously unknown alpha-amino acids. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.041

文献信息

• Asymmetric synthesis of novel α-amino acids with β-branched side chains
  作者：Minsheng Zhang、Alex Porte、George Diamantidis、Kimberly Sogi、Dennis Kubrak、Lynn Resnick、Scott C. Mayer、Zheng Wang、Anthony F. Kreft、Boyd L. Harrison

  DOI：10.1016/j.bmcl.2007.02.041

  日期：2007.5

  An asymmetric synthesis of alpha-amino acids with novel beta-branched side chains has been implemented. The syntheses feature a p-toluenesulfinylimine induced chiral Strecker approach and were found to be applicable to the introduction of both aliphatic and aromatic P-branched sidechains for preparation of previously unknown alpha-amino acids. (C) 2007 Elsevier Ltd. All rights reserved.