cyclothiophosphazene | 38595-77-6

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 其他非金属卤化物
• 英文名称: cyclothiophosphazene
• 英文别名: 1,3,3,5,5-Pentachloro-1lambda4-thia-2,4,6-triaza-3lambda5,5lambda5-diphosphacyclohexa-1,3,5-triene；1,3,3,5,5-pentachloro-1λ4-thia-2,4,6-triaza-3λ5,5λ5-diphosphacyclohexa-1,3,5-triene
• CAS: 38595-77-6
• 化学式: Cl₅N₃P₂S
• 分子量: 313.299
• InChiKey: KKNXSZJEVHGCQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  56.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  cyclothiophosphazene 以 neat (no solvent) 为溶剂， 以90%的产率得到poly(thiophosphazene)
  参考文献：
  名称：

  聚（硫代磷腈）：具有由磷、氮和硫原子组成的骨架的新型无机大分子

  摘要：

  La 聚合热，par ouverture de cycle du pentachlorocyclotrithiophosphazene Cl 5 N 3 P 2 S donne lepolymere (SCl=N•PCl 2 =N-PCl 2 =N) n 。Cepolymere etant sensible a l'hydrite, les atomes de chlore sont remplaces par des groupes aryloxy par Replaceophile

  DOI：

  10.1021/ja00159a070
• 作为产物：
  描述：

  1,5-Cl2P(NSN)2PCl2 以 neat (no solvent, solid phase) 为溶剂， 生成 cyclothiophosphazene
  参考文献：
  名称：

  Synthesis, Properties, and Bishomoaromaticity of the First Tetrahalogenated Derivative of a 1, 5-Diphosphadithiatetrazocine: A Combined Experimental and Computational Investigation

  摘要：

  The first example of a tetrahalogenated derivative of a diphosphadithiatetrazocine, 1,5-Cl2P(NSN)(2)PCl2 (3), was synthesized by cyclocondensation of a 2:1 mixture of SCl2 and SO2Cl2 with Cl2P(NSiMe3)N(SiMe3)(2) in CH2Cl2. The heterocycle 3 was isolated as an orange, moisture-sensitive, thermally labile solid and characterized by mass spectrometry, P-31 NMR, and UV visible spectroscopy, The low-field P-31 NMR chemical shift (93.7 ppm) is indicative of a cross-ring S-S interaction in the eight-membered P2N4S2 ring, and this conclusion is supported by densityfunctional computations. Compound 3 exhibits unusual physical properties compared with those of the known tetraalkyl or aryl derivatives; mild heating (90 degrees C) produces an orange rubbery material. The bishomoaromatic character of the diphosphadithiatetrazocine 1,5-R2P(NSN)(2)PR2 (R = Me, Cl, F) is evinced by the negative nucleusindependent chemical shift (NICS) values, and the through-space bishomoconjugation in the eight-membered ring decreases with increasing electronegativity of the substituents attached to the P atoms.

  DOI：

  10.1021/ic902428j

文献信息

• Chivers; Rao, Inorganic Chemistry, 1984, vol. 23, # 22, p. 3605 - 3609
  作者：Chivers、Rao

  DOI：——

  日期：——