1,1,2-tributyl-3-phenyl-4,4-diethyl-4-phosphonia-1-boratacyclobut-2-ene | 132447-83-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 1,1,2-tributyl-3-phenyl-4,4-diethyl-4-phosphonia-1-boratacyclobut-2-ene
• 英文别名: 2,2,3-tributyl-1,1-diethyl-4-phenyl-1-phosphonia-2-boranuidacyclobut-3-ene
• CAS: 132447-83-7
• 化学式: C₂₄H₄₂BP
• 分子量: 372.382
• InChiKey: AFAYXFSHVWTJNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  硫氰酸甲酯 、 1,1,2-tributyl-3-phenyl-4,4-diethyl-4-phosphonia-1-boratacyclobut-2-ene 以 neat (no solvent) 为溶剂， 以44%的产率得到2,2,3-tributyl-4-phenyl-5,5-diethyl-6-methylthio-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