ethyl (E)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)hex-2-en-4-ynoate | 1174459-96-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl (E)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)hex-2-en-4-ynoate
• CAS: 1174459-96-1
• 化学式: C₁₄H₁₈F₃NO₄
• 分子量: 321.296
• InChiKey: HBZMIZWVFOYOOB-MDZDMXLPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  ethyl (E)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)hex-2-en-4-ynoate 、 苄胺 在 三乙胺 、 mercury dichloride 作用下， 以 1,4-二氧六环 为溶剂， 以73%的产率得到tert-butyl N-[[1-benzyl-6-oxo-4-(trifluoromethyl)pyridin-2-yl]methyl]carbamate
  参考文献：
  名称：

  Concise preparation of 8-trifluoromethyltetrahydro-6H-pyrido [1,2-a] pyrazine-6-one

  摘要：

  Methodology to rapidly and efficiently assemble 8 -trifluoromethyltetrahydro-6H-pyrido [1,2-a] pyrazine-6-one (11) has been developed and its general applicability has been demonstrated. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.04.094
• 作为产物：
  描述：

  N-Boc-氨基丙炔 、 ethyl (2Z)-4,4,4-trifluoro-3-iodobut-2-enoate 在 copper(l) iodide 、 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 以51%的产率得到ethyl (E)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)hex-2-en-4-ynoate
  参考文献：
  名称：

  Concise preparation of 8-trifluoromethyltetrahydro-6H-pyrido [1,2-a] pyrazine-6-one

  摘要：

  Methodology to rapidly and efficiently assemble 8 -trifluoromethyltetrahydro-6H-pyrido [1,2-a] pyrazine-6-one (11) has been developed and its general applicability has been demonstrated. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.04.094

文献信息

• Concise preparation of 8-trifluoromethyltetrahydro-6H-pyrido [1,2-a] pyrazine-6-one
  作者：Shankaran Kothandaraman、Deodialsingh Guiadeen、Gabor Butora、George Doss、Sander G. Mills、Malcolm MacCoss、Lihu Yang

  DOI：10.1016/j.tetlet.2009.04.094

  日期：2009.7

  Methodology to rapidly and efficiently assemble 8 -trifluoromethyltetrahydro-6H-pyrido [1,2-a] pyrazine-6-one (11) has been developed and its general applicability has been demonstrated. (C) 2009 Elsevier Ltd. All rights reserved.