bis(p-tolylethynyl)tetrachlorocyclotriphosphazene | 1148038-02-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: bis(p-tolylethynyl)tetrachlorocyclotriphosphazene
• 英文别名: 2,2,4,4-Tetrachloro-6,6-bis[2-(4-methylphenyl)ethynyl]-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene；2,2,4,4-tetrachloro-6,6-bis[2-(4-methylphenyl)ethynyl]-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
• CAS: 1148038-02-1
• 化学式: C₁₈H₁₄Cl₄N₃P₃
• 分子量: 507.063
• InChiKey: ZTGOERIVRMMLLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  37.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-甲苯基乙炔 在 正丁基锂 、 六氯环三磷腈 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.25h， 以54%的产率得到bis(p-tolylethynyl)tetrachlorocyclotriphosphazene
  参考文献：
  名称：

  Synthesis and Structures of Alkynylchlorocyclotriphosphazenes and Their Cluster-Forming Reactions with Octacarbonyldicobalt

  摘要：

  Cyclotriphosphazenes having p-tolylethynyl and chloro substituents N(3)P(3){C C(p-Tol)}(n)Cl(6-n) (1a: n = 2, 1b: n = 4; p-Tol = p-tolyl) were synthesized by the reaction of hexachlorocyclotriphosphazene (NPCl(2))(3) with 2 equiv of LiC C(p-Tol) in THF. 1a and 1b were characterized by spectroscopic methods and elemental analyses. The reactions of 1a and 1b with octacarbonyldicobalt Co(2)(CO)(8) produced cobalt clusters containing tetrahedral C(2)Co(2)(CO)(6)(p-Tol) cluster units; namely, tetranuclear cluster N(3)P(3){C(2)Co(2)(CO)(6)(p-Tol)}(2)Cl(4) (2) and hexanuclear cluster N(3)P(3){C(2)Co(2)(CO)(6)(p-Tol)}(3){C C(p-Tol)}Cl(2) (3). Crystal structures of 1a and 2 were determined by X-ray crystallography.

  DOI：

  10.3987/com-08-s(f)96