1-(3-Ethoxy-1-phenylhept-1-yn-3-yl)benzotriazole | 183211-18-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: 1-(3-Ethoxy-1-phenylhept-1-yn-3-yl)benzotriazole
• CAS: 183211-18-9
• 化学式: C₂₁H₂₃N₃O
• 分子量: 333.433
• InChiKey: MZHYRKCVNZKVNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  39.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3-Ethoxy-1-phenylhept-1-yn-3-yl)benzotriazole 在 zinc dibromide 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以61%的产率得到1-phenyl-3-ethoxy-3-hepten-1-yne
  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
• 作为产物：
  描述：

  正溴丁烷 、 1-(苯并三唑-1-基)炔丙基乙基醚 在 正丁基锂 作用下， 生成 1-(3-Ethoxy-1-phenylhept-1-yn-3-yl)benzotriazole
  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.