2,2-dichloro-4-N,4-N,6-N,6-N-tetraethyl-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene-4,6-diamine | 65812-45-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环化合物
• 英文名称: 2,2-dichloro-4-N,4-N,6-N,6-N-tetraethyl-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene-4,6-diamine
• 英文别名: 2,2-dichloro-4-N,4-N,6-N,6-N-tetraethyl-1,3,5-triaza-2λ5-phosphacyclohexa-1,3,5-triene-4,6-diamine
• CAS: 65812-45-5
• 化学式: C₁₀H₂₀Cl₂N₅P
• 分子量: 312.182
• InChiKey: CERFLAVPAIDDRJ-UHFFFAOYSA-N

物化性质

• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  45.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,2,4,6-四氯-2L5-1,3,5,2-三氮杂膦咛 、 alkaline earth salt of/the/ methylsulfuric acid 以 甲苯 为溶剂， 反应 24.0h， 以82%的产率得到2,2-dichloro-4-N,4-N,6-N,6-N-tetraethyl-1,3,5-triaza-2lambda5-phosphacyclohexa-1,3,5-triene-4,6-diamine
  参考文献：
  名称：

  Dealkylation reactions of dialkylaminomethylferrocenes with cyclic chlorocarbaphosphazene, (ClCN)2(Cl2PN)

  摘要：

  Dialkylaminomethylferrocenes, FcCH(2)NRR' (NRR'=NMe2)(1), NEt2 (2), N(CH2CH=CH2)(2), (3), N(CH2CH2)(2)O (4), N(Me)(CH2Ph) (5) and N(Me)(c-C6H11) (6) (Fe = Ferrocenyl) were synthesized by the reaction of ferrocene with the corresponding diamines, RR'NCH2NRR'. The identity of 3 was further confirmed by X-ray structural analysis of its hydrochloride, FcCH(2)NH (CH2CH=CH2)(2)(+) Cl- (7). Reactions of compounds 1-6 were carried out with tetrachlorodicarbaphosphatriazene, (ClCN)(2)(Cl2PN) in diethylether medium at room temperature or in refluxing toluene. The amines 1, 2, 4, 5 and 6 were found to undergo a facile C-N bond cleavage at the bridging methylene group irrespective of the nature of substituents on the nitrogen. The cleaved dialkylamino groups were found to substitute regiospecifically at the ring carbon atoms of the carbaphosphazene, yielding the dialkylamino substituted carbaphosphazenes [(RR'N)CN](2),(Cl2PN) 8-12. The X-ray crystal structure of the substituted carbaphosphazene (Me2NCN)(2)(Cl2PN) 8 has also been determined. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)01095-x