1,1,3-triphenyl-1-cyanopropyne-2 | 64771-56-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,1,3-triphenyl-1-cyanopropyne-2
• 英文别名: 3-Cyano-1,3,3-triphenyl-propin；2,2,4-Triphenylbut-3-ynenitrile
• CAS: 64771-56-8
• 化学式: C₂₂H₁₅N
• 分子量: 293.368
• InChiKey: IVPRQXYBHIYVIN-UHFFFAOYSA-N

物化性质

• 沸点：
  455.7±45.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  (2,2-二氯乙烯基)苯 在 sodium hydroxide 、 四丁基硫酸氢铵 作用下， 以 乙醚 为溶剂， 反应 33.0h， 生成 1,1,3-triphenyl-1-cyanopropyne-2
  参考文献：
  名称：

  A Simple Synthesis of 2-Phenylethynyl- and 2-Phenylthioethynyl-2-substituted Phenylacetonitriles Under Phase-Transfer Catalytic (PTC) Conditions

  摘要：

  The efficient synthesis of 2-phenylethynyl- or 2-phenylthioethynyl-2-substituted phenylacetonitriles 4 and 5 from nitriles 3 and substituted dichloroethenes 1 or 2, respectively, in the presence of 50% aqueous sodium hydroxide and tetrabutylammonium hydrogen sulphate (TBAHS) as a catalyst (phase-transfer catalysis, PTC), has been accomplished.

  DOI：

  10.1080/00397919308011280

文献信息

• Competing nucleophilic processes in haloalkynes. Carbanionic attacks
  作者：Taeko Izumi、Sidney I. Miller

  DOI：10.1021/jo00399a016

  日期：1978.3
• A Simple Synthesis of 2-Phenylethynyl- and 2-Phenylthioethynyl-2-substituted Phenylacetonitriles Under Phase-Transfer Catalytic (PTC) Conditions
  作者：Andrzej Jończyk、Tomasz Kuliński

  DOI：10.1080/00397919308011280

  日期：1993.7

  The efficient synthesis of 2-phenylethynyl- or 2-phenylthioethynyl-2-substituted phenylacetonitriles 4 and 5 from nitriles 3 and substituted dichloroethenes 1 or 2, respectively, in the presence of 50% aqueous sodium hydroxide and tetrabutylammonium hydrogen sulphate (TBAHS) as a catalyst (phase-transfer catalysis, PTC), has been accomplished.