15-[3-(dimethylamino)propoxy]-5,5,13,13-tetramethyl-1,7,9,14,16-pentaoxa-5,13-diazonia-15-bora-6,8-diboratadispiro[5.1.5.3]hexadecane | 906351-36-8

• 英文名称: 15-[3-(dimethylamino)propoxy]-5,5,13,13-tetramethyl-1,7,9,14,16-pentaoxa-5,13-diazonia-15-bora-6,8-diboratadispiro[5.1.5.3]hexadecane
• CAS: 906351-36-8
• 化学式: C₁₅H₃₆B₃N₃O₆
• 分子量: 386.9
• InChiKey: SSGBTLAPDWSWIO-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

• 作为产物：
  描述：

  3-二甲氨基-1-丙醇 、 硼酸 以 further solvent(s) 为溶剂， 以93%的产率得到15-[3-(dimethylamino)propoxy]-5,5,13,13-tetramethyl-1,7,9,14,16-pentaoxa-5,13-diazonia-15-bora-6,8-diboratadispiro[5.1.5.3]hexadecane
  参考文献：
  名称：

  Three-in-one: the novel packing and structures of three independent molecules of a tricyclic boron compound

  摘要：

  The three independent molecules in a single crystal of the tricyclic compound 15-[3-(dimethylamino) propoxy]-5,5,13,13-tetramethyl- 1,7,9,14,16-pentaoxa-5,13-diazonia-15-bora-6,8-diboratadispiro[ 5.1.5.3] hexadecane, C15H36B3N3O6, are bound in dense layers by C - H center dot center dot center dot O( B) intermolecular interactions. The 3-( dimethylamino) propoxy arms adopt three different conformations with only van der Waals contact distances between the layers. The replicated differences in the B - N bond lengths [ mean 1.723 ( 7) and 1.678 ( 5) angstrom] for equivalent geometries are addressed using density functional theory (DFT) calculations.

  DOI：

  10.1107/s0108270105041089