N,N-bis(2,2-diethyl-3-iminohydroxypropyl)amine hydrochloride | 1443740-93-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N-bis(2,2-diethyl-3-iminohydroxypropyl)amine hydrochloride
• CAS: 1443740-93-9
• 化学式: C₁₄H₂₉N₃O₂*ClH
• 分子量: 307.864
• InChiKey: KZHMAJQPSNFBDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.53
• 重原子数：
  20.0
• 可旋转键数：
  10.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  77.21
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  N,N-bis(2,2-diethyl-3-iminohydroxypropyl)amine hydrochloride 在 盐酸 、 二硫化碳 、 对甲苯磺酸 、 sodium hydroxide 作用下， 以 乙醇 、 对二甲苯 、 水 、 邻二氯苯 为溶剂， 100.0 ℃ 、7.58 MPa 条件下， 反应 77.0h， 生成 3,3,9,9-tetraethyl-1,5,7-triazabicyclo[4.4.0]dec-4-ene hydrochloride
  参考文献：
  名称：

  Syntheses of very soluble alkylated bicyclic guanidinate ligands and structural characterization of a dipalladium paddlewheel

  摘要：

  Fool-proof syntheses of two highly soluble tetraalkylated bicyclic guanidinates which are characterized by the NC(N)N core are reported along with the structures of the corresponding hydrochlorides. The compound with alkyl = methyl was used to prepare a paddlewheel species with a Pd-2(4+) core devoid of a strong metal-metal bond but potentially useful as precursor to a rare single bonded Pd-2(6+) species. The Pd1...Pd2 separation is only 2.5488(12) angstrom and the local coordination for each of the d(8) Pd(II) atoms is square planar. Published by Elsevier Ltd.

  DOI：

  10.1016/j.poly.2012.06.002
• 作为产物：
  描述：

  聚合甲醛 、 2-乙基丁醛 在 盐酸 、 氯化铵 、 盐酸羟胺 作用下， 以 水 、 乙醇 为溶剂， 反应 5.33h， 以30%的产率得到N,N-bis(2,2-diethyl-3-iminohydroxypropyl)amine hydrochloride
  参考文献：
  名称：

  Syntheses of very soluble alkylated bicyclic guanidinate ligands and structural characterization of a dipalladium paddlewheel

  摘要：

  Fool-proof syntheses of two highly soluble tetraalkylated bicyclic guanidinates which are characterized by the NC(N)N core are reported along with the structures of the corresponding hydrochlorides. The compound with alkyl = methyl was used to prepare a paddlewheel species with a Pd-2(4+) core devoid of a strong metal-metal bond but potentially useful as precursor to a rare single bonded Pd-2(6+) species. The Pd1...Pd2 separation is only 2.5488(12) angstrom and the local coordination for each of the d(8) Pd(II) atoms is square planar. Published by Elsevier Ltd.

  DOI：

  10.1016/j.poly.2012.06.002