1,2,3-trimethyl-N,N-di(propan-2-yl)-5,6-dihydroimidazo[1,2-a][1,3]azaphosphol-6-amine | 376348-32-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 英文名称: 1,2,3-trimethyl-N,N-di(propan-2-yl)-5,6-dihydroimidazo[1,2-a][1,3]azaphosphol-6-amine
• CAS: 376348-32-2
• 化学式: C₁₄H₂₆N₃P
• 分子量: 267.354
• InChiKey: CMUSAQSDQFCRQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  9.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  borane tetrahydrofuran 、 1,2,3-trimethyl-N,N-di(propan-2-yl)-5,6-dihydroimidazo[1,2-a][1,3]azaphosphol-6-amine 以 氘代甲苯 为溶剂， 以76%的产率得到
  参考文献：
  名称：

  Unusual Formation of an Azaphospholene from 1,3,4,5-Tetramethylimidazol-2-ylidene and Di(isopropyl)aminophosphaalkyne

  摘要：

  Intramolecular C-H insertion into the methyl group of the amino substituent of 1 is shown by density functional theory calculations to stabilize this intermediate in the formation of the novel 1:1 carbene-phosphaalkyne adduct 2. Compound 2 is formed in near quantitative yield by reaction of 1,3,4,5-tetramethylimidazol-2-ylidene with P≡CNiPr2 .

  DOI：

  10.1002/1521-3773(20010903)40:17<3144::aid-anie3144>3.0.co;2-f
• 作为产物：
  描述：

  di(isopropyl)aminophosphaethyne 、 1,3,4,5-tetramethylimidazol-2-ylidene 以 氘代甲苯 为溶剂， 以82%的产率得到1,2,3-trimethyl-N,N-di(propan-2-yl)-5,6-dihydroimidazo[1,2-a][1,3]azaphosphol-6-amine
  参考文献：
  名称：

  Unusual Formation of an Azaphospholene from 1,3,4,5-Tetramethylimidazol-2-ylidene and Di(isopropyl)aminophosphaalkyne

  摘要：

  Intramolecular C-H insertion into the methyl group of the amino substituent of 1 is shown by density functional theory calculations to stabilize this intermediate in the formation of the novel 1:1 carbene-phosphaalkyne adduct 2. Compound 2 is formed in near quantitative yield by reaction of 1,3,4,5-tetramethylimidazol-2-ylidene with P≡CNiPr2 .

  DOI：

  10.1002/1521-3773(20010903)40:17<3144::aid-anie3144>3.0.co;2-f

文献信息

• Unusual Formation of an Azaphospholene from 1,3,4,5-Tetramethylimidazol-2-ylidene and Di(isopropyl)aminophosphaalkyne
  作者：F. Ekkehardt Hahn、Duc Le Van、Michelle C. Moyes、Thorsten von Fehren、Roland Fröhlich、Ernst-Ulrich Würthwein

  DOI：10.1002/1521-3773(20010903)40:17<3144::aid-anie3144>3.0.co;2-f

  日期：2001.9.3

  Intramolecular C-H insertion into the methyl group of the amino substituent of 1 is shown by density functional theory calculations to stabilize this intermediate in the formation of the novel 1:1 carbene-phosphaalkyne adduct 2. Compound 2 is formed in near quantitative yield by reaction of 1,3,4,5-tetramethylimidazol-2-ylidene with P≡CNiPr2 .