chlorotris(2-chlorobenzyl)stannane | 112765-07-8

• 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: chlorotris(2-chlorobenzyl)stannane
• 英文别名: tri(o-chlorobenzyl)tin chloride；(o-ClC6H4CH2)3SnCl；Chlorotris[(2-chlorophenyl)methyl]stannane；chloro-tris[(2-chlorophenyl)methyl]stannane
• CAS: 112765-07-8
• 化学式: C₂₁H₁₈Cl₄Sn
• 分子量: 530.896
• InChiKey: QCYRRNBGFCENNW-UHFFFAOYSA-M

物化性质

• 熔点：
  38-40 °C
• 沸点：
  541.2±60.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.48
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  chlorotris(2-chlorobenzyl)stannane 、 水杨酸 在 三乙胺 作用下， 以 甲醇 为溶剂， 反应 10.0h， 以81%的产率得到tris(2-chlorobenzyl)stannyl 2-hydroxybenzoate
  参考文献：
  名称：

  一种三(邻氯苄基)锡水杨酸酯及制备方法与 应用

  摘要：

  本发明公开的一种三(邻氯苄基)锡水杨酸酯，为如下结构式的化合物。本发明选择三(邻氯苄基)氯化锡与配体水杨羧，在一定条件下反应，合成得到了对人乳腺癌细胞(MCF7)细胞株、人肺癌细胞(A549)和人肺癌细胞(H460)具有较强抑制活性的化合物三(邻氯苄基)锡水杨酸酯，为开发抗癌药物提供了新途径。本发明的三(邻氯苄基)锡水杨酸酯配合物具有一定的热稳定范围，在205℃以下能稳定存在。

  公开号：

  CN108864174B

文献信息

• Self-assembly of triorganotin(IV) or diorganotin(IV) moieties and 2-methylpyrazine-5-acid: Syntheses, characterizations and crystal structures of monomeric, polymeric or tetranuclear macrocyclic compounds
  作者：Han Dong Yin、Fa Hui Li、Lin Wei Li、Gang Li

  DOI：10.1016/j.jorganchem.2006.10.061

  日期：2007.2

  chloride, diorganotin(IV) dichloride, and diorganotin(IV) oxide. All compounds were characterized by elemental, IR, and NMR spectra analyses. The crystal structure of compounds 1, 8–11 were determined by X-ray single crystal diffraction, which revealed that compound 1 was tetranuclear macrocyclic structures with seven-coordinate and five-coordinate tin atoms, compounds 8 and 9 were polymeric chain structures

  一系列的二有机锡（IV）和三有机锡（IV）的类型的化合物[R 2的Sn（PCA）2 ClSnR 3 ] 2（RPhCH 2 1，2-氯Ç 6 ħ 4 CH 2 2，2- ˚F Ç 6 ħ 4 CH 2 3，4- ˚F ç 6 ħ 4 CH 2 4，4- CN ç 6 ħ 4 CH 2 5，4-氯ç 6 ħ 4CH 2 6，2,4-氯2 ç 6 ħ 3 CH 2 7 ; Hpca2甲基吡嗪-5-甲酸），[（Ñ丁基）3 Sn的（PCA）] ∞ 8，[（CH 3）2氯2的Sn（PCA）的Sn（CH 3）2（PCA）] ∞ 9，[ （n Bu）2 Sn（pca）] 2 O} 2 10和[Ph 2 Sn（pca）] 3 O 2 [Ph 2 Sn（OCH 3）]}11已通过2-甲基吡嗪-5-甲酸反应用三有机锡（IV），氯化二有机锡（IV）二氯化物，和二有机锡（IV）氧化物获得。所有化合物均通过元素
• Self‐Assembly of Organotin( <scp>IV</scp> ) Moieties with the Schiff‐Base Ligands Pyruvic Acid Isonicotinyl Hydrazone and Pyruvic Acid Salicylhydrazone: Synthesis, Characterization, and Crystal Structures of Monomeric or Polymeric Complexes
  作者：Handong Yin、Min Hong、Haolong Xu、Zhongjun Gao、Gang Li、Daqi Wang

  DOI：10.1002/ejic.200500412

  日期：2005.11

  R3SnCl (R = o-ClBz 10, p-ClBz 11, p-CNBz 12) with the Schiff-base ligand pyruvic acid salicylhydrazone in a 1:1 molar ratio. All complexes were characterized by elemental analysis and IR, 1H, and 119Sn NMR spectroscopy. The crystal structures of complexes 1, 2, 3, 7, and 10 have been determined by X-ray single crystal diffraction analyses, which show that the tin atoms of 1, 2, 3, and 10 are all seven-coordinate

  [R 2 SnLY] 2或[R 2 SnL（R 3 SnOH）] 2类型的一系列有机锡（IV）配合物[L = 4-NC 5 H 4 CON 2 C（CH 3）CO 2或2-通过R 2 SnO（R = Ph 1，n C 8 H 17 2）或R 2 SnO的缩合反应合成了HOC 6 H 4 CON 2 C（CH 3）CO 2和Y = H 2 O或CH 3 OH]或R 3SnCl（R = o -ClBz 3，o -FBz 4，p -FBz 5，p -CNBz 6）与席夫碱配体丙酮酸异烟酰胺基的摩尔比为1：1或（R 3 Sn）2 O（ R = n Bu 7，Bz 8，p -CNBz 9）或R 3 SnCl（R = o -ClBz 10，p -ClBz 11，p -CNBz 12）与席夫碱配体丙酮酸水杨sal的摩尔比为1：1。通过元素分析和IR，1 H和119 Sn NMR光谱对所有配合物进行表征。
• Synthesis and structural characterization of diorganotin(IV) esters with pyruvic acid isonicotinyl hydrazone and pyruvic acid salicylhydrazone Schiff bases
  作者：Han Dong Yin、Min Hong、Qi Bao Wang、Sheng Cai Xue、Da Qi Wang

  DOI：10.1016/j.jorganchem.2004.12.037

  日期：2005.3

  Eight diorganotin esters of Schiff base ligands formulated as [R2SnLY]2, where L1 is 4-NC5H4CON2C(CH3) CO2 with Y = H2O, R = Ph (1), PhCH2 (2), m-ClC6H4CH2 (3), and L2 is 2-HOC6H4CON2C(CH3) CO2 with Y = CH3OH, R = PhCH2 (4), o-ClC6H4CH2 (5), m-ClC6H4CH2 (6), o-FC6H4CH2 (7), p-FC6H4CH2 (8) have been prepared and characterized by elemental analysis, IR, 1H and 119Sn NMR spectra. The crystal structures

  席夫碱配体的八种二有机锡酯，配制成[R 2 SnLY] 2，其中L 1为4-NC 5 H 4 CON 2 C（CH 3）CO 2，Y = H 2 O，R = Ph（1），PhCH 2（2），m -ClC 6 H 4 CH 2（3），L 2是2-HOC 6 H 4 CON 2 C（CH 3）CO 2，Y = CH 3 OH，R = PhCH2（4），o -ClC 6 H 4 CH 2（5），m -ClC 6 H 4 CH 2（6），o -FC 6 H 4 CH 2（7），p -FC 6 H 4 CH 2（7）已经制备了8）并通过元素分析，IR，1 H和119 Sn NMR光谱进行了表征。化合物1的晶体结构，通过X射线单晶衍射确定了图2和图4。它们的结构表明，在具有平面SnO 4 N单元和两个顶部芳基碳原子的扭曲五边形双锥体几何结构中，三种化合物的锡原子均呈七配位。配体的IR光谱与相应化合物的
• Synthesis and spectroscopic properties of [N-(4-carboxyphenyl) salicylideneiminato] di- and tri-organotin (IV) complexes and crystal structures of {[nBu2Sn(2-OHC6H4CHNC6H4COO)]2O}2 and Ph3Sn(2-OHC6H4CHNC6H4COO)
  作者：Han Dong Yin、Qi Bao Wang、Sheng Cai Xue

  DOI：10.1016/j.jorganchem.2004.09.063

  日期：2005.1

  Reactions of R2SnO (R: "Bu, Cy, Ph, PhCH2) and R3SnCl (R: Ph, Cy, PhCH2, 2-Cl-PhCH2, 4-F-PhCH2, 4-Cl-PhCH2) with N-(4-carboxyphenyl)-salicylideneimine (LH2) in 1: 1 stoichiometry afford complexes [R2Sn(LH)](2)O}(2) and R3Sn(LH). These complexes have been characterized by elemental analyses, IR, H-1 and Sn-119 NMR spectroscopy. The crystal structures of ["Bu2Sn(LH)](2)O}(2), 1 and Ph3Sn(L), 5 are determined by single crystal X-ray diffraction. Results showed that in the solid state the complex 1 is a tetra-nuclear centrosymmetric dimer with six-coordination being assigned to both the endo-cyclic and exo-cyclic tin atoms after consideration of close intermolecular tin oxygen contacts, and study show that the imino nitrogen atom do not participate in coordination to the tin atom. The complex 5 is a monomer, and in the molecule the tin atoms are five-coordinated in trigonal bipyramidal geometries with the two oxygen atom of the carboxylate both coordinating to the till atoms. (C) 2004 Published by Elsevier B.V.
• Synthesis and spectroscopic properties of diorganotin(IV) complexes of 2-quinaldate and crystal structures of (4-FC6H4CH2)2Sn(2-quin)2·2CH3CN and {[(2-ClC6H4CH2)2SnCl(2-quin)]2·CH3OH}n
  作者：Han Dong Yin、Qi Bao Wang、Sheng Cai Xue

  DOI：10.1016/j.jorganchem.2005.03.046

  日期：2005.7

  Twelve diorganotin(IV) complexes of 2-quinaldate R2Sn(2-quin)(2) and R2SnCl(2-quin) have been synthesized by dealkyltion reactions of 2-quinaldic acid (2-quinH) with (R3Sn)(2)O (R = PhCH2 1, 2-C/C6H4CH2 2, 2-FC6H4CH2 3, 4-FC6H4CH, 4,4-CNC6H4CH2 5, Ph 6, 2,4-Cl2C6H3CH2 7) and R3SnCl (R = 2-ClC6H4CH2 8, 4-C/C6H4CH2 9, 2-FC6H4CH2 10, 4-FC6H4CH2 11, PhCH2 12), and all the complexes have been characterized by elemental analysis, IR and multinuclear NMR (H-1, C-13, Sn-119) spectroscopies. The structures of (4-FC6H4CH2)(2)Sn(2-quin)(2)(.)2CH(3)CN (4) and [(2-C/C6H4CH2)(2)Sn(2-quin)C l](2) (.) CH3OH}(n) (8) have been determined by X-ray diffraction. Studies show that complex 4 is a monomer with the central tin atom six-coordinated in a skew-trapezoidal-bipyramidal geometry and complex 8 is a one-dimensional polymer with the tin atom six-coordinated. Studies also show that the nitrogen atoms of the 2-quin ligand are coordinating to the tin atoms for all of the 12 complexes. (c) 2005 Elsevier B.V. All rights reserved.