2,3-双(4-氯苯基)丙腈 | 36770-81-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 中文名称: 2,3-双(4-氯苯基)丙腈
• 英文名称: 2,3-bis(4-chlorophenyl)propanenitrile
• CAS: 36770-81-7
• 化学式: C₁₅H₁₁Cl₂N
• 分子量: 276.165
• InChiKey: MUIYVHDFAMWHHP-UHFFFAOYSA-N

物化性质

• 熔点：
  91-92 °C
• 沸点：
  391.8±32.0 °C(Predicted)
• 密度：
  1.269±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,3-双(4-氯苯基)丙腈 在 sodium hydroxide 作用下， 以 二乙二醇 为溶剂， 生成 (±)-2,3-bis(4-chlorophenyl)propanoic acid
  参考文献：
  名称：

  影响中枢神经系统的化合物。V.取代的3-二烷基氨基烷基茚。

  摘要：

  DOI：

  10.1021/jm00303a608
• 作为产物：
  描述：

  对氯苯乙腈 在 sodium amide 、 甲苯 作用下， 生成 2,3-双(4-氯苯基)丙腈
  参考文献：
  名称：

  Chloro Analogs of Methadone

  摘要：

  DOI：

  10.1021/ja01176a013

文献信息

• Nickel/Cobalt‐Catalyzed Reductive Hydrocyanation of Alkynes with Formamide as the Cyano Source, Dehydrant, Reductant, and Solvent
  作者：Jin Zhang、Cui‐Ping Luo、Luo Yang

  DOI：10.1002/adsc.202000935

  日期：2021.1.5

  A Ni/Co co‐catalyzed reductive hydrocyanation of various alkynes was developed for the production of saturated nitriles. Hydrocyanic acid is generated in situ from safe and readily available formamide. Formamide played multiple roles as a cyano source, dehydrant, and reductant for the NiII pre‐catalyst and vinyl nitriles, along with acting as the co‐solvent in this reaction. Detailed mechanistic investigation

  开发了一种Ni / Co共催化的各种炔烃的还原性氢氰化反应，用于生产饱和腈。氢氰酸是从安全易得的甲酰胺中原位生成的。甲酰胺在Ni II预催化剂和乙烯基腈中起氰基源，脱水剂和还原剂的作用，并在该反应中作为助溶剂。详细的机理研究支持了通过C≡C键氢氰化和随后C = C键还原的途径。广泛的底物范围，使用便宜且稳定的镍盐作为前催化剂，安全的氰基来源和方便的实验操作使这种氢氰化法在实验室合成饱和腈方面具有实用性。
• Synthesis and histamine H2 agonistic activity of arpromidine analogues: replacement of the pheniramine-like moiety by non-heterocyclic groups
  作者：A Buschauer、A Friese-Kimmel、G Baumann、W Schunack

  DOI：10.1016/0223-5234(92)90145-q

  日期：1992.6

  Analogues of the potent histamine H-2 agonist arpromidine, characterized by non-heterocyclic groups (phenyl, cyclo-hexyl, alkyl) instead of the pheniramine-like portion, were prepared and tested for their H-2 agonistic and H-1 antagonistic activity in the isolated guinea pig right atrium and ileum, respectively. In the diphenylpropylguanidine series an increase in H-2 agonistic potency resulted from mono- or difluorination at one or both phenyl rings in the meta and/or para position (pD2 less-than-or-equal-to 7.75 vs pD2 = 7.15 for the unsubstituted parent compound). Compounds chlorinated at both phenyl rings were considerably less potent. Highest combined H-2 agonistic/H-1 antagonistic potency was found in the 4-fluorophenyl series. The arpromidine analogue with cyclohexyl and methyl group instead of phenyl and pyridine ring proved to be 30 times more potent than histamine in the atrium. The H-1 antagonistic potency in cyclohexyl compounds was lower than in the diaryl series. Thus, aromatic rings appear not to be required for high H-2 agonistic potency but are useful for combined H-2 agonistic/H-1 antagonistic activity.
• Oxidative decyanation of benzyl and benzhydryl cyanides. A simplified procedure
  作者：Stuart S. Kulp、Michael J. McGee

  DOI：10.1021/jo00170a044

  日期：1983.11
• Chloro Analogs of Methadone
  作者：Philip. Weiss、M. G. Cordasco、L. Reiner

  DOI：10.1021/ja01176a013

  日期：1949.8
• Amiel-Levy, Mazal; Hoz, Shmaryahu, Journal of the American Chemical Society, 2009, vol. 131, p. 8280 - 8284
  作者：Amiel-Levy, Mazal、Hoz, Shmaryahu

  DOI：——

  日期：——