2,4-di-tert-butyl-N,N,N',N'-tetraethyl-1,3-diphosphabicyclo[2.2.0]hexa-2,5-diene-5,6-diamine | 438197-30-9

• 分子结构分类: 有机化合物 - 有机磷化合物
• 英文名称: 2,4-di-tert-butyl-N,N,N',N'-tetraethyl-1,3-diphosphabicyclo[2.2.0]hexa-2,5-diene-5,6-diamine
• 英文别名: 2,4-ditert-butyl-N,N,N',N'-tetraethyl-1,3-diphosphabicyclo[2.2.0]hexa-2,5-diene-5,6-diamine；2,4-ditert-butyl-5-N,5-N,6-N,6-N-tetraethyl-1,3-diphosphabicyclo[2.2.0]hexa-2,5-diene-5,6-diamine
• CAS: 438197-30-9
• 化学式: C₂₀H₃₈N₂P₂
• 分子量: 368.483
• InChiKey: AKDNTIUPSSNEMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.21
• 重原子数：
  24.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  6.48
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  tungsten pentacarbonyl tetrahydrofuran 、 2,4-di-tert-butyl-N,N,N',N'-tetraethyl-1,3-diphosphabicyclo[2.2.0]hexa-2,5-diene-5,6-diamine 以 四氢呋喃 为溶剂， 以17%的产率得到(2,4-di-tert-butyl-N,N,N',N'-tetraethyl-1,3-diphosphabicyclo[2.2.0]hexa-2,5-diene-5,6-diamino-3-yl)pentacarbonyltungsten
  参考文献：
  名称：

  Organophosphorus compounds Part 164. 2,4-Disubstituted 1,3-diphosphacyclobutadienes: generation and trapping reactions

  摘要：

  1lambda(3),3lambda(3)-Diphosphacyclobutadienes have been specifically generated for the first time through hexachloroethane-induced extrusion of the organophosphorus ligands from dimeric zirconocene-phosphaalkyne complexes. The species were chemically characterized indirectly by reactions with appropriate trapping reagents. Thus, the use of bis(acceptor)-substituted alkynes gave rise to 2,5-diphosphabenzvalenes, whereas reactions with N-methylmaleinimide and donor -substituted alkynes such as bis(diethylamino)acetylene resulted in the fort-nation of 1,3-diphospha-Dewar-benzenes. Representatives of both classes of compounds were analyzed by X-ray crystallography. Kinetically stabilized phosphaalkynes reacted similarly to furnish tetraphosphabishomoprismanes through a sequence of [4 + 2] and [2 + 2 + 2] cycloaddition processes. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)01344-4
• 作为产物：
  描述：

  bis(diethylamino)acetylene 、 2,2-二甲基丙基次基膦 在 正丁基锂 、 二氯二茂锆 、 六氯乙烷 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 2,4-di-tert-butyl-N,N,N',N'-tetraethyl-1,3-diphosphabicyclo[2.2.0]hexa-2,5-diene-5,6-diamine
  参考文献：
  名称：

  The Metal-Initiated Cyclooligomerization of Phospha-Alkynes and its Consequences [1]

  摘要：

  DOI：

  10.1080/10426509908546231