7,7-Dichloro-2,4,6-trimethyl-2,4,6-triaza-1,5-diphospha-bicyclo[3.1.1]heptan-3-one | 917943-37-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 7,7-Dichloro-2,4,6-trimethyl-2,4,6-triaza-1,5-diphospha-bicyclo[3.1.1]heptan-3-one
• CAS: 917943-37-4
• 化学式: C₅H₉Cl₂N₃OP₂
• 分子量: 259.999
• InChiKey: JIRDGZJRQGAAPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.07
• 重原子数：
  13.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  31.86
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  7,7-Dichloro-2,4,6-trimethyl-2,4,6-triaza-1,5-diphospha-bicyclo[3.1.1]heptan-3-one 、 邻四氯苯醌 以 二氯甲烷 为溶剂， 反应 16.0h， 以82%的产率得到
  参考文献：
  名称：

  Umsetzung von 1,5-Dimethyl-2,3,3,4-tetrachlor-1,5,2,4-diazadiphosphorinan-6-on mit Anilinderivaten, Heptamethyldisilazan und tert.-Butylamin: Oxidative Addition von Tetrachlor-o-benzochinon an einige P(III)-haltige Produkte

  摘要：

  The reaction of the title compound 1 with the p-R-aniline derivatives (R=H, F, OCH3, NO2, and NH2) led to the formation of the aza-2 sigma(3), 4 sigma(3)-diphosphetidines 2a-2e, whereas 2-trimethylsiloxyaniline furnished the azadiphosphetidine 2f. The reaction of the sterically crowded 2,6-dimethylaniline with 1 furnished the disubstituted derivative 3. The tricyclic compound 5 was formed during the reaction of 1,2-phenylenediamine with 1. Heptamethyldisilazane formed the aza-2 sigma(3), 4 sigma(3) diphosphetidine 6 on reaction with 1. The bulkier tert.-butylamine formed with 1 a mixture of the aza-2,4-diphosphetidine 7a and the disubstituted derivative 7b, which could not be separated. The reaction of 2b and 6 with tetrachloro-o-benzoquinone resulted in the formation of the bis-spirophosphoranes 8 and 9b, respectively. The formation of the monospirophosphorane 9a was observed in the P-31 NMR spectrum. The characterization of compounds is based in particular on NMR investigations (H-1, C-13, P-31). 2a was characterized by a single-crystal X-ray structure analysis. The dimethylurea fragment is planar; the four-membered ring is folded about the P center dot center dot center dot P vector by 38.7 degrees.

  DOI：

  10.1080/10426500600596401
• 作为产物：
  描述：

  1,5-dimethyl-2,3,3,4-tetrachloro-1,5,2,4-diazadiphosphorinan-6-one 、 七甲基二硅氮烷 以 二氯甲烷 为溶剂， 反应 24.0h， 以84%的产率得到7,7-Dichloro-2,4,6-trimethyl-2,4,6-triaza-1,5-diphospha-bicyclo[3.1.1]heptan-3-one
  参考文献：
  名称：

  Umsetzung von 1,5-Dimethyl-2,3,3,4-tetrachlor-1,5,2,4-diazadiphosphorinan-6-on mit Anilinderivaten, Heptamethyldisilazan und tert.-Butylamin: Oxidative Addition von Tetrachlor-o-benzochinon an einige P(III)-haltige Produkte

  摘要：

  The reaction of the title compound 1 with the p-R-aniline derivatives (R=H, F, OCH3, NO2, and NH2) led to the formation of the aza-2 sigma(3), 4 sigma(3)-diphosphetidines 2a-2e, whereas 2-trimethylsiloxyaniline furnished the azadiphosphetidine 2f. The reaction of the sterically crowded 2,6-dimethylaniline with 1 furnished the disubstituted derivative 3. The tricyclic compound 5 was formed during the reaction of 1,2-phenylenediamine with 1. Heptamethyldisilazane formed the aza-2 sigma(3), 4 sigma(3) diphosphetidine 6 on reaction with 1. The bulkier tert.-butylamine formed with 1 a mixture of the aza-2,4-diphosphetidine 7a and the disubstituted derivative 7b, which could not be separated. The reaction of 2b and 6 with tetrachloro-o-benzoquinone resulted in the formation of the bis-spirophosphoranes 8 and 9b, respectively. The formation of the monospirophosphorane 9a was observed in the P-31 NMR spectrum. The characterization of compounds is based in particular on NMR investigations (H-1, C-13, P-31). 2a was characterized by a single-crystal X-ray structure analysis. The dimethylurea fragment is planar; the four-membered ring is folded about the P center dot center dot center dot P vector by 38.7 degrees.

  DOI：

  10.1080/10426500600596401