methyl 2-hydroxy-2-phenylnon-3-ynoate | 92956-90-6

• 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: methyl 2-hydroxy-2-phenylnon-3-ynoate
• CAS: 92956-90-6
• 化学式: C₁₆H₂₀O₃
• 分子量: 260.333
• InChiKey: RMIZHEIERBBGQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  苯甲酰甲酸甲酯 、 1-庚炔 在 锌 、 碘甲烷 作用下， 以 N-甲基吡咯烷酮 、 二氯甲烷 为溶剂， 反应 14.0h， 以71%的产率得到methyl 2-hydroxy-2-phenylnon-3-ynoate
  参考文献：
  名称：

  Addition of terminal alkynes to α-ketone esters to synthesize α-tertiary-hydroxy esters promoted by zinc and an alkyl halide

  摘要：

  A convenient method to synthesize various alpha-tertiary-hydroxy esters at room temperature has been developed. This method uses the readily available and inexpensive Zn powder in combination with an alkyl halide to promote the addition of alkynes to alpha-ketone esters with no need to exclude air or moisture. It has also been extended to promote the reaction of alkynes with a variety of aldehydes and other electron-deficient ketones. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2015.09.144

文献信息

• Addition of terminal alkynes to α-ketone esters to synthesize α-tertiary-hydroxy esters promoted by zinc and an alkyl halide
  作者：Wen Zhang、Yuan Cao、Wei Chen、Gang Zhao、Lin Pu

  DOI：10.1016/j.tetlet.2015.09.144

  日期：2015.11

  A convenient method to synthesize various alpha-tertiary-hydroxy esters at room temperature has been developed. This method uses the readily available and inexpensive Zn powder in combination with an alkyl halide to promote the addition of alkynes to alpha-ketone esters with no need to exclude air or moisture. It has also been extended to promote the reaction of alkynes with a variety of aldehydes and other electron-deficient ketones. (C) 2015 Elsevier Ltd. All rights reserved.