1-phenyl-3-ethoxy-7-hydroxy-7-(4-methyl)phenyl-3-hepten-1,5-diyne

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 1-phenyl-3-ethoxy-7-hydroxy-7-(4-methyl)phenyl-3-hepten-1,5-diyne
• 英文别名: 5-Ethoxy-1-(4-methylphenyl)-7-phenylhept-4-en-2,6-diyn-1-ol
• 化学式: C₂₂H₂₀O₂
• 分子量: 316.4
• InChiKey: ZWAAJNYYPOZTCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  对甲基苯甲醛 、 1-phenyl-3-ethoxy-3-hexen-1,5-diyne 在 lithium diisopropyl amide 作用下， 生成 1-phenyl-3-ethoxy-7-hydroxy-7-(4-methyl)phenyl-3-hepten-1,5-diyne
  参考文献：
  名称：

  α-(Benzotriazol-1-YL)Propargyl Ethyl Ethers: Novel Precursors to Enediynes, Enynes and Dienynes

  摘要：

  Deprotonated 1-(benzotriazol-1-yl)propargyl ethyl ethers react with propargyl, allyl and alkyl bromides to give the expected substituted derivatives 2, 4 and 9, respectively. Subsequent eliminations of the benzotriazolyl group upon treatment with NaH or ZnBr2, and elaboration of the acetylene group, generate ethoxy substituted enediynes 3, 6, 8, dienynes 7 and enynes 12. Grignard reagents or LiAlH4 convert 9 into a-ethoxy substituted alkynes 10 and 11.

  DOI：

  10.1080/00397919608003826

文献信息

• α-(Benzotriazol-1-YL)Propargyl Ethyl Ethers: Novel Precursors to Enediynes, Enynes and Dienynes
  作者：Alan R. Katritzky、Zhongxing Zhang、Hengyuan Lang

  DOI：10.1080/00397919608003826

  日期：1996.11

  Deprotonated 1-(benzotriazol-1-yl)propargyl ethyl ethers react with propargyl, allyl and alkyl bromides to give the expected substituted derivatives 2, 4 and 9, respectively. Subsequent eliminations of the benzotriazolyl group upon treatment with NaH or ZnBr2, and elaboration of the acetylene group, generate ethoxy substituted enediynes 3, 6, 8, dienynes 7 and enynes 12. Grignard reagents or LiAlH4 convert 9 into a-ethoxy substituted alkynes 10 and 11.