(2-(Me2NCH2C6H4)diphenyltin(IV) iodide | 917772-88-4

• 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: (2-(Me2NCH2C6H4)diphenyltin(IV) iodide
• CAS: 917772-88-4
• 化学式: C₂₁H₂₂INSn
• 分子量: 534.027
• InChiKey: XHOSXYJUVTYEKI-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  (2-(Me2NCH2C6H4)diphenyltin(IV) iodide 、 碘 以 氯仿 为溶剂， 以45%的产率得到(2-(N,N-dimethylaminomethyl)phenyl)PhSnI₂
  参考文献：
  名称：

  Expanding the family of C,N-chelated organotin(IV) pseudohalides: Synthesis and structural characterization

  摘要：

  A set of tri- and diorganotin(IV) pseudohalides bearing the 2-(N, N-dimethylaminomethyl)phenyl-as a C,N-chelating ligand (L-CN) has been prepared and structurally characterized. Triorganotin(IV) pseudohalides of the type (LR2SnX)-R-CN [R = n-Bu, X = NCO (1a), NCS (1b), NCSe (1c), CN (1d); R = Ph, X = NCO (2a), NCS (2b), NCSe (2c), CN (2d)] and (L-CN)(2)(n-Bu)SnX [X = NCO (3a), NCS (3b), NCSe (3c), CN (3d)] are monomeric both in solution and the solid state. The central tin atom in these species is five-coordinated in the solid state with distorted trigonal bipyramidal geometry. Monomeric diorganotin(IV) pseudohalides of the type (L-CN)(2)SnX2 [X = NCO (4a), NCS (4b), NCSe (4c), CN (4d)] contain six-coordinated tin atoms with heavily distorted octahedral geometry both in solution and solid state due to the presence of two L-CN units. Finally, we have found that L-CN(n-Bu)Sn(NCS)(2) (5) is presumably dimeric in CDCl3 and monomeric in THF-d(8) or DMSO-d(6) solution while it forms infinite linear polymer in the solid state via thiocyanate bridges. According to IR, multinuclear NMR spectroscopy and XRD analysis, it was found that the pseudohalide ligands of the N=C=Y type (Y=O, S, Se) are bound via nitrogen while the CN substituent act as a common cyanide ligand (i.e. binds via carbon). DFT calculations were performed for selected compounds (2a, 2b, 2d and 4d) to further support our conclusions about the nature of the Snpseudohalide bonds. Compound (LSnPhI2)-Sn-CN (6), which was prepared in the scope of this work as well has a trigonal bipyramidal structure with non-equivalent iodine atoms. (C) 2015 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2015.10.014
• 作为产物：
  描述：

  potassium iodide 、 C,N-[2-(dimethylaminomethyl)phenyl]diphenyltin(IV) chloride 以 甲醇 、 二氯甲烷 、 水 为溶剂， 以91%的产率得到(2-(Me2NCH2C6H4)diphenyltin(IV) iodide
  参考文献：
  名称：

  含有 2-(Me2NCH2)C6H4 基团的超配位有机锡 (IV) 卤化物：{2-(Me2NCH2)C6H4}2SnX2 (X = F, Cl, Br, I) 和 {2-(Me2NCH2)C6H4}R2SnX (R = Me, Ph；X = F、Cl、Br、I) 及其溶液行为和固态、基于氢键的超分子结构

  摘要：

  超配位的二有机锡和三有机锡 (iv) 氯化物 [{2-(Me 2 NCH 2 )C 6 H 4 } 2 SnCl 2 ] (la) 和 [{2-(Me 2 NCH 2 )C 6 H 4 }-R 2 SnCl] [R = Me (2a), Ph (3a)] 通过用 [Li{2-(Me2NCH2)C 6 H 4 }] 处理 SnCl 4 或 R 2 SnCl 2 来制备。有机锡 (iv) 氯化物和适当的卤化钾之间的卤化物交换反应得到 [{2-(Me 2 NCH 2 )-C 6 H 4 } 2 SnX 2 ] [X = F (1b), I (1d)] , [{2-(Me 2 NCH 2 )C 6 H 4 }-Me 2 SnX] [X = F (2b), Br (2c), I (2d)] 和 [{2-(Me 2 NCH 2 ) -C 6 H 4 }Ph 2 SnX] [X = F (3b), I (3d)]。它们的溶液行为通过多核（

  DOI：

  10.1002/ejic.200501018