(C4H9)3SnOOCC6H4NNC6H4N(CH3)2-4 | 82184-40-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 偶氮苯
• 英文名称: (C4H9)3SnOOCC6H4NNC6H4N(CH3)2-4
• 英文别名: [Sn(n-butyl)3(2-[4-(dimethylamino)phenylazo]benzoate)]
• CAS: 82184-40-5
• 化学式: C₂₇H₄₁N₃O₂Sn
• 分子量: 558.351
• InChiKey: OJUPYWBFXFJIEJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  8.67
• 重原子数：
  33.0
• 可旋转键数：
  14.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  54.26
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  三丁基氧化锡 、 甲基红 以 乙醇 为溶剂， 以82.2%的产率得到(C4H9)3SnOOCC6H4NNC6H4N(CH3)2-4
  参考文献：
  名称：

  Structure, properties and cytostatic activity of tributyltin aminoarylcarboxylates

  摘要：

  Properties of butyltin complexes [Sn(C4H9-n)(3){OOCC6H3(NH2)(2)-3,4}](n) (1), [Sn(C4H9-n)(3){OOCC6H3(NH2)2-3,5}] (2), [Sn(C4H9-n)(3)}OOCC6H4N H4N=NC6H4N(CH3)(2)-4}] (3) and [Sn(C6H5)(3){OOCC6H3(NH2)(2)-3,5)}](n) (4) have been investigated. H-1, C-13 and Sn-119 NMR spectra indicate that the compounds in chloroform are distorted tetrahedral and in strongly coordinating solvents trigonal-bipyramidal complexes. Structure of complex 3 has been determined by X-ray crystallography. This compound adopts trigonal bipyramidal structure with bridging carboxylato ligand bound asymmetrically with tin atoms in axial positions. The complexes are effective cytostatic agents. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(03)00475-4

文献信息

• Organotin derivatives of (arylazo)benzoic acids
  作者：B. Majee、S. Banerjee

  DOI：10.1016/s0022-328x(00)84300-4

  日期：1977.10

  Organotin derivatives of some (arylazo)benzoic acids have been prepared, and investigated by spectrophotometric titration and IR spectroscopy. The organotin (o-arylazo)benzoates are generally penta-coordinated, but those containing a hydroxyl group in the 2-position, e.g., triorganotin o-(2-hydroxy-5-methyl-benzeneazo)benzoate, are hexa-coordinated. The tetracarboxy derivatives contain two different

  已经制备了一些（芳基偶氮）苯甲酸的有机锡衍生物，并通过分光光度滴定法和红外光谱法进行了研究。有机锡（邻-芳基偶氮）苯甲酸酯通常是五配位的，但是在2-位含有羟基的那些，例如三有机锡邻-（2-羟基-5-甲基-苯偶氮）苯甲酸酯是六配位的。如两次IR吸收所示，四羧基衍生物在1700（酯状）和1620 cm -1（螯合）处包含两种不同类型的锡-羧酸酯键。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Sn: Org.Comp.12, 1.4.1.1.1.5.4.6.2, page 181 - 191
  作者：

  DOI：——

  日期：——