N,N-bis(2-benzylmercaptoethyl)-N-(3-benzylmercaptopropyl)amine | 1267687-64-8

• 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: N,N-bis(2-benzylmercaptoethyl)-N-(3-benzylmercaptopropyl)amine
• 英文别名: 3-benzylsulfanyl-N,N-bis(2-benzylsulfanylethyl)propan-1-amine
• CAS: 1267687-64-8
• 化学式: C₂₈H₃₅NS₃
• 分子量: 481.791
• InChiKey: WLUFNSJTTQGWON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  32
• 可旋转键数：
  16
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  79.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tetrakis(acetonitrile)copper(I)tetrafluoroborate 、 N,N-bis(2-benzylmercaptoethyl)-N-(3-benzylmercaptopropyl)amine 以 乙腈 为溶剂， 以92%的产率得到[Cu(N,N-bis(2-benzylmercaptoethyl)-N-(3-benzylmercaptopropyl)amine)]BF4
  参考文献：
  名称：

  Copper(I) complexes of N-centered aliphatic tripodal trithioether ligands – Adjustment of complex geometry by variation of spacer lengths

  摘要：

  A series of novel aliphatic tripodal trithioether ligands 4-6 differing in the lengths of the alkyl chains between central nitrogen atom and sulfur donor function has been synthesized. The neutral ligands 4-6 react with copper(I) under formation of the mononuclear complexes 7-9 featuring exclusive coordination of the metal center by the tertiary amine and the three thioether donor functions of the tripodal ligand. Molecular structures of 7 and 9 show a direct influence of the spacer lengths between central and terminal donor functions on the geometry of the tetracoordinated complex cations. Substitution of one ethylene by a propylene spacer leads to a larger bite angle between the amine and thioether donor functions and effects a tetrahedral distortion for the complex cation in 7. For the copper(I) compound 9 with a ligand possessing exclusively propylene spacers this effect is increased leading to a tetrahedral geometry of the complex cation. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.10.008
• 作为产物：
  描述：

  苄硫醇 在 sodium ethanolate 、 potassium carbonate 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 20.0h， 生成 N,N-bis(2-benzylmercaptoethyl)-N-(3-benzylmercaptopropyl)amine
  参考文献：
  名称：

  Copper(I) complexes of N-centered aliphatic tripodal trithioether ligands – Adjustment of complex geometry by variation of spacer lengths

  摘要：

  A series of novel aliphatic tripodal trithioether ligands 4-6 differing in the lengths of the alkyl chains between central nitrogen atom and sulfur donor function has been synthesized. The neutral ligands 4-6 react with copper(I) under formation of the mononuclear complexes 7-9 featuring exclusive coordination of the metal center by the tertiary amine and the three thioether donor functions of the tripodal ligand. Molecular structures of 7 and 9 show a direct influence of the spacer lengths between central and terminal donor functions on the geometry of the tetracoordinated complex cations. Substitution of one ethylene by a propylene spacer leads to a larger bite angle between the amine and thioether donor functions and effects a tetrahedral distortion for the complex cation in 7. For the copper(I) compound 9 with a ligand possessing exclusively propylene spacers this effect is increased leading to a tetrahedral geometry of the complex cation. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.10.008

文献信息

• Copper(I) complexes of N-centered aliphatic tripodal trithioether ligands – Adjustment of complex geometry by variation of spacer lengths
  作者：Marc Blomenkemper、Henning Schröder、Tania Pape、F. Ekkehardt Hahn

  DOI：10.1016/j.ica.2010.10.008

  日期：2011.1

  A series of novel aliphatic tripodal trithioether ligands 4-6 differing in the lengths of the alkyl chains between central nitrogen atom and sulfur donor function has been synthesized. The neutral ligands 4-6 react with copper(I) under formation of the mononuclear complexes 7-9 featuring exclusive coordination of the metal center by the tertiary amine and the three thioether donor functions of the tripodal ligand. Molecular structures of 7 and 9 show a direct influence of the spacer lengths between central and terminal donor functions on the geometry of the tetracoordinated complex cations. Substitution of one ethylene by a propylene spacer leads to a larger bite angle between the amine and thioether donor functions and effects a tetrahedral distortion for the complex cation in 7. For the copper(I) compound 9 with a ligand possessing exclusively propylene spacers this effect is increased leading to a tetrahedral geometry of the complex cation. (C) 2010 Elsevier B.V. All rights reserved.