1-(1,3-bis(4-chlorobenzyl)-1,3,5-diazaphosphinan-5-yl)-N-(4-chlorobenzyl)methanamine hydrochloride | 1305349-71-6

• 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: 1-(1,3-bis(4-chlorobenzyl)-1,3,5-diazaphosphinan-5-yl)-N-(4-chlorobenzyl)methanamine hydrochloride
• CAS: 1305349-71-6
• 化学式: C₂₅H₂₇Cl₃N₃P*ClH
• 分子量: 543.303
• InChiKey: XHPGQPAQQBYJIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.49
• 重原子数：
  33.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  18.51
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-(1,3-bis(4-chlorobenzyl)-1,3,5-diazaphosphinan-5-yl)-N-(4-chlorobenzyl)methanamine hydrochloride 、 四苯硼钠 以 甲醇 为溶剂， 反应 0.5h， 以90%的产率得到
  参考文献：
  名称：

  New Monocationic Trialkylphosphine Tetraphenylborate Salts

  摘要：

  Six new monocationic trialkylphosphines, [P(CH(2)NH(2)R){CH(2)N(R)CH(2)N(R)CH(2)}](+) (R = C(6)H(5)CH(2), 4- FC(6)H(4)CH(2), 4-ClC(6)H(4)CH(2), 4-CH(3)C(6)H(4)CH(2)) as their Cl(-) (1c, 1d) or BPh(4)(-) (2a-2d) salts, are described. All compounds have been characterized by (31)P{(1)H} spectroscopy, FTIR spectroscopy, and elemental analysis. A single crystal X-ray structure determination of 2a has been performed. In contrast to recent examples reported by us, only one intramolecular N-H center dot center dot center dot N hydrogen bond was observed in molecules of 2a; the other N H was involved in an N-H center dot center dot center dot pi intermolecular interaction to the BPh(4)(-) anion.

  DOI：

  10.1080/10426507.2010.533394
• 作为产物：
  描述：

  四羟甲基氯化磷 、 对氯苄胺 以 乙醇 为溶剂， 生成 1-(1,3-bis(4-chlorobenzyl)-1,3,5-diazaphosphinan-5-yl)-N-(4-chlorobenzyl)methanamine hydrochloride
  参考文献：
  名称：

  New Monocationic Trialkylphosphine Tetraphenylborate Salts

  摘要：

  Six new monocationic trialkylphosphines, [P(CH(2)NH(2)R){CH(2)N(R)CH(2)N(R)CH(2)}](+) (R = C(6)H(5)CH(2), 4- FC(6)H(4)CH(2), 4-ClC(6)H(4)CH(2), 4-CH(3)C(6)H(4)CH(2)) as their Cl(-) (1c, 1d) or BPh(4)(-) (2a-2d) salts, are described. All compounds have been characterized by (31)P{(1)H} spectroscopy, FTIR spectroscopy, and elemental analysis. A single crystal X-ray structure determination of 2a has been performed. In contrast to recent examples reported by us, only one intramolecular N-H center dot center dot center dot N hydrogen bond was observed in molecules of 2a; the other N H was involved in an N-H center dot center dot center dot pi intermolecular interaction to the BPh(4)(-) anion.

  DOI：

  10.1080/10426507.2010.533394