(E)-dimethyl 2-(4,4-dimethyl-1-(thiophen-2-yl)pent-2-en-1-yl)malonate | 1574570-00-5

• 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: (E)-dimethyl 2-(4,4-dimethyl-1-(thiophen-2-yl)pent-2-en-1-yl)malonate
• 英文别名: dimethyl 2-[(E)-4,4-dimethyl-1-thiophen-2-ylpent-2-enyl]propanedioate
• CAS: 1574570-00-5
• 化学式: C₁₆H₂₂O₄S
• 分子量: 310.414
• InChiKey: YBQPAEMEIPNHQE-CMDGGOBGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  80.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3,3-二甲基-1-丁炔 在 二氯二茂钛 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 4.0h， 生成 (E)-dimethyl 2-(4,4-dimethyl-1-(thiophen-2-yl)pent-2-en-1-yl)malonate
  参考文献：
  名称：

  Assessing the utility of HAlCl2 derived vinylalanes for Michael addition

  摘要：

  Rare alkenylalanes are prepared by Cp2TiCl2 or Cp-2*grCl(2) (Cp = eta-C5H5; CP* = eta-C5Me5) catalysed addition of HAlCl2 center dot(THF)(2) to terminal alkynes ((RC)-C-1 CH; R-1 = alkyl). Use of minimum head-volume sealed vials maximises the hydroalumination yields of volatile alkynes. Facile 1,4-addition of the resultant alkenylalanes to unsaturated malonates (RCH)-C-2=C(CO2R3)(2) (R-2 = alkyl, aryl, R-3 = alkyl) is observed providing rapid and convenient access to the addition products. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.01.105

文献信息

• Assessing the utility of HAlCl2 derived vinylalanes for Michael addition
  作者：Darren Willcox、Humaira Gondal、Marc Garcia Civit、Simon Woodward

  DOI：10.1016/j.tetlet.2014.01.105

  日期：2014.3

  Rare alkenylalanes are prepared by Cp2TiCl2 or Cp-2*grCl(2) (Cp = eta-C5H5; CP* = eta-C5Me5) catalysed addition of HAlCl2 center dot(THF)(2) to terminal alkynes ((RC)-C-1 CH; R-1 = alkyl). Use of minimum head-volume sealed vials maximises the hydroalumination yields of volatile alkynes. Facile 1,4-addition of the resultant alkenylalanes to unsaturated malonates (RCH)-C-2=C(CO2R3)(2) (R-2 = alkyl, aryl, R-3 = alkyl) is observed providing rapid and convenient access to the addition products. (C) 2014 Elsevier Ltd. All rights reserved.