3-乙酰氧基-7-苄氧基-1-乙氧基-1-庚炔 | 1026993-55-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-乙酰氧基-7-苄氧基-1-乙氧基-1-庚炔
• 英文名称: 3-acetoxy-7-benzyloxy-1-ethoxy-1-heptyne
• 英文别名: (1-Ethoxy-7-phenylmethoxyhept-1-yn-3-yl) acetate；(1-ethoxy-7-phenylmethoxyhept-1-yn-3-yl) acetate
• CAS: 1026993-55-4
• 化学式: C₁₈H₂₄O₄
• 分子量: 304.386
• InChiKey: SUOZGTBACPDXOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  22
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-乙酰氧基-7-苄氧基-1-乙氧基-1-庚炔 在 水 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 0.5h， 以99%的产率得到ethyl (E)-7-(benzyloxy)hept-2-enoate
  参考文献：
  名称：

  Virtually Complete E-Selective α,β-Unsaturated Ester Synthesis by Hg(OTf)₂-Catalyzed Hydration of sec-Ethoxyalkynyl Acetate

  摘要：

  The reaction of alkyl-substituted sec-ethoxyalkynyl acetates with water catalyzed by Hg(OTf)(2) afforded alpha,beta-unsaturated esters in excellent yield with high catalytic turnover up to 1000 times under very mild reaction conditions with virtually complete E-selectivity, superior even to that of the HWE reaction.

  DOI：

  10.1021/ol702548r

文献信息

• Virtually Complete <i>E</i>-Selective α,β-Unsaturated Ester Synthesis by Hg(OTf)₂-Catalyzed Hydration of <i>sec</i>-Ethoxyalkynyl Acetate
  作者：Mugio Nishizawa、Hiroko Hirakawa、Yuki Nakagawa、Hirofumi Yamamoto、Kosuke Namba、Hiroshi Imagawa

  DOI：10.1021/ol702548r

  日期：2007.12.1

  The reaction of alkyl-substituted sec-ethoxyalkynyl acetates with water catalyzed by Hg(OTf)(2) afforded alpha,beta-unsaturated esters in excellent yield with high catalytic turnover up to 1000 times under very mild reaction conditions with virtually complete E-selectivity, superior even to that of the HWE reaction.