3-[4-(3-Carbonochloridoylphenoxy)butoxy]benzoyl chloride | 50717-11-8

• 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: 3-[4-(3-Carbonochloridoylphenoxy)butoxy]benzoyl chloride
• CAS: 50717-11-8
• 化学式: C₁₈H₁₆Cl₂O₄
• 分子量: 367.229
• InChiKey: KLHXKHTVHNKDRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  24
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  {copper(II)(Me4Bzo2{14}tetraeneN4)} 、 3-[4-(3-Carbonochloridoylphenoxy)butoxy]benzoyl chloride 在 三乙胺 作用下， 以 甲苯 为溶剂， 以21%的产率得到copper;(1E,20Z)-21,30,31,40-tetramethyl-8,13-dioxa-22,32-diaza-29,39-diazanidahexacyclo[18.10.10.13,7.114,18.023,28.033,38]dotetraconta-1(30),3(42),4,6,14,16,18(41),20(40),21,23,25,27,31,33,35,37-hexadecaene-2,19-dione
  参考文献：
  名称：

  Preparation and Characterization of Four Strapped Tetraaza[14]annulene Copper(II) Complexes

  摘要：

  The reaction between a tetraaza[14]annulene copper(II) complex and four dibenzoic dichlorides led to the corresponding strapped copper(II) complexes in 21-53 % yield at 70 degrees C in dry toluene containing excess, triethylamine. The mass spectra reveal the molecular ion signals caused by the strapped products, respectively. The infrared spectra exhibit the intense stretching mode of C=O in the 1650-1660 cm(-1) range and the two strong stretching modes of C-O-C at about 1250 cm(-1) and 1050 cm(-1). All elemental analyses of the strapped copper(II) complexes agree with the anticipated constitution. These copper(II) complexes assume roughly square-planar coordination based on their d-->d* transition bands. The spin Hamiltonian parameters are consistent with those of the copper(II) complex which is not strapped which is square-planar with an unpaired electron in the dx(2)-y(2) orbital. These results support the structure of the strapped complexes.

  DOI：

  10.1080/00945719608004367