2,2,3-tributyl-4,5,5-triphenyl-6-benzylthio-1-aza-5-phosphonia-2-boratacyclohexa-3,6-diene | 146467-86-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2,2,3-tributyl-4,5,5-triphenyl-6-benzylthio-1-aza-5-phosphonia-2-boratacyclohexa-3,6-diene
• 英文别名: 6-benzylsulfanyl-2,2,3-tributyl-4,5,5-triphenyl-1-aza-5-phosphonia-2-boranuidacyclohexa-3,6-diene
• CAS: 146467-86-9
• 化学式: C₄₀H₄₉BNPS
• 分子量: 617.687
• InChiKey: NXLGUZFBWWSXLS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  1,2,2-tributyl-3,4,4-triphenyl-1-borata-4-phosphoniacyclobutene-2 、 硫氰酸苄酯 以 苯 为溶剂， 以65%的产率得到2,2,3-tributyl-4,5,5-triphenyl-6-benzylthio-1-aza-5-phosphonia-2-boratacyclohexa-3,6-diene
  参考文献：
  名称：

  Reaction of 1,2-borylphosphinoethene with thiocyanates. Molecular and crystal structure of 2,2,3-tributyl-4,5,5-triphenyl-6-methylthio-1,5,2-azaphosphoniaboratacyclohexa-3,6-diene

  摘要：

  The reaction of 1,2-borylphosphinoethenes with alkylthiocyanates leads to formation of substances having the structure of 6-alkylthio-1,5,2-azaphosphoniaboratacyclohexa-3,6-dienes in the crystal state. The structure of the compounds has been proven by x-ray diffraction analysis of 2,2,3-tributyl-4,4,5-triphenyl-5-methylthio-1,5,2-azaphosphoniaboratacyclohexa-3,6-diene. The heterocyclic moiety of the molecule is planar within 0.010(2) angstrom. The methylthio group lies practically in the plane of the heterocycle.

  DOI：

  10.1007/bf00864194