((4-Cl-C6H4CH2)3Sn)2(2,5-pyridinedicarboxylate) | 942499-52-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: ((4-Cl-C6H4CH2)3Sn)2(2,5-pyridinedicarboxylate)
• CAS: 942499-52-7
• 化学式: C₄₉H₃₉Cl₆NO₄Sn₂
• 分子量: 1155.99
• InChiKey: JNWZHRJLKTZFLH-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  13.9
• 重原子数：
  62.0
• 可旋转键数：
  16.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  65.49
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  2,5-二吡啶羧酸 、 [(4-Cl-C6H4CH2)3Sn]2O 以 甲醇 、 苯 为溶剂， 以66%的产率得到((4-Cl-C6H4CH2)3Sn)2(2,5-pyridinedicarboxylate)
  参考文献：
  名称：

  Syntheses, characterization and crystal structure of diorganotin and triorganotin heterocyclicdicarboxylates with monomeric, 2D network and 3D framework structures

  摘要：

  A series of new diorganotin and triorganotin(IV) heterocyclicdicarboxylates [((Bu3Sn)-Bu-n)(2)(2,5-pdc)](infinity) (1), {[(2-FC6H4CH2)(3)Sn]2(2,5-pdc)}(proportional to). (2), {[(2-ClC6H4CH2)(3)Sn](2)(2,5-pdc)}(infinity). (3), {[(4-CNC6H4CH2)(3)Sn](2)(2,5-pdc)}(infinity) (4), {[(4-ClC6H4CH2)(3)Sn](2)(2,5-pdc)}(infinity) (5), [(Ph)(2)Sn(2,6-pdc)(H2O)](infinity) (6), {[Bu3Sn(2,6-pdc)(SnBu3)-Bu-n](2)(H2O)(2)}center dot C2H3N (7) and {[Ph3Sn(2,3-pdz)SnPh3](2)(H2O)}center dot (8) have been obtained by reactions of diorganotin(IV) and triorganotin (IV) oxide with 2,6 or 2,5-H(2)pdc (pdc=pyridinedicarboxylate) or 2,3-H(2)pdz (pdz=pyrazinedicarboxylate). Complexes 1-8 were characterized by elemental, IR and NMR spectra analyses. The crystal and molecular structures of compounds 1, 6, 7 and 8 have been determined by X-ray single crystal diffraction. Compound 1 has 2D network structures. Compound 6 has 1D polymeric chain and 3D framework supramolecular structures due to the coordinated water molecules. Compound 7 has a monomeric structure, but the supramolecular structures are network. Crown Copyright (C) 2006 Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.12.012