N-(cyclopropyl)-4-fluorobenzimidoyl chloride | 1192139-71-1

• 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: N-(cyclopropyl)-4-fluorobenzimidoyl chloride
• 英文别名: N-cyclopropyl-4-fluorobenzenecarboximidoyl chloride
• CAS: 1192139-71-1
• 化学式: C₁₀H₉ClFN
• 分子量: 197.64
• InChiKey: RWAYJWBXFXLJLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  12.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(cyclopropyl)-4-fluorobenzimidoyl chloride 在 三甲基氯硅烷 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 5-cyclopropyl-6-(4-fluorophenyl)-1-isopropyl-4-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine
  参考文献：
  名称：

  Synthesis of Pyrazolo[3,4-d]-4,5-dihydropyrimidines through [5+1] Cyclocondensation

  摘要：

  Twenty-five diverse pyrazolo[3,4-d]-4,5-dihydropyrimidines were synthesized in 73-91% yield through TMS-promoted [5+1] heterocyclization of aldehydes with pyrazolylamidines.

  DOI：

  10.1055/s-0033-1340158
• 作为产物：
  描述：

  N-环丙基 4-氟苯甲酰胺 在 氯化亚砜 作用下， 反应 2.0h， 以95.6%的产率得到N-(cyclopropyl)-4-fluorobenzimidoyl chloride
  参考文献：
  名称：

  N-(R-cyclopropyl)fluorobenzimidoyl phosphonates

  摘要：

  Reaction of N-(R-cyclopropyl)benzimidoyl chloride with triethyl phosphite has yielded the corresponding N-(R-cyclopropyl)-substituted benzimidoyl phosphonates existing predominantly in the E-configuration [E : Z a parts per thousand (8-10) : 1] at room temperature. F-19 NMR spectroscopy allowed determination of inductive and resonance sigma-constants of N-(R-cyclopropyl)-substituted imidoyl chloride and imidoyl phosphonate groups for the first time.

  DOI：

  10.1134/s1070363215020115

文献信息

• N-(R-cyclopropyl)fluorobenzimidoyl phosphonates
  作者：P. P. Onys’ko、D. V. Klyukovskii、A. V. Bezdudnyi

  DOI：10.1134/s1070363215020115

  日期：2015.2

  Reaction of N-(R-cyclopropyl)benzimidoyl chloride with triethyl phosphite has yielded the corresponding N-(R-cyclopropyl)-substituted benzimidoyl phosphonates existing predominantly in the E-configuration [E : Z a parts per thousand (8-10) : 1] at room temperature. F-19 NMR spectroscopy allowed determination of inductive and resonance sigma-constants of N-(R-cyclopropyl)-substituted imidoyl chloride and imidoyl phosphonate groups for the first time.
• Synthesis of Pyrazolo[3,4-d]-4,5-dihydropyrimidines through [5+1] Cyclocondensation
  作者：Sergey Ryabukhin、Alexander Shivanyuk、Dmitry Granat、Andrey Plaskon、Dmitriy Volochnyuk

  DOI：10.1055/s-0033-1340158

  日期：——

  Twenty-five diverse pyrazolo[3,4-d]-4,5-dihydropyrimidines were synthesized in 73-91% yield through TMS-promoted [5+1] heterocyclization of aldehydes with pyrazolylamidines.