[(Me2SnCl)2(2,6-dithiopurine(-2H))]*H2O | 850868-96-1

• 英文名称: [(Me2SnCl)2(2,6-dithiopurine(-2H))]*H2O
• CAS: 850868-96-1
• 化学式: C₉H₁₄Cl₂N₄S₂Sn₂*H₂O
• 分子量: 568.71
• InChiKey: JPZRXULRTGWLDM-UHFFFAOYSA-J

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

• 作为产物：
  描述：

  水 、 二甲基二氯化锡 、 2,6-二巯基嘌呤 在 NaOMe 作用下， 以 甲醇 为溶剂， 以70%的产率得到[(Me2SnCl)2(2,6-dithiopurine(-2H))]*H2O
  参考文献：
  名称：

  Investigation on coordination modes of organotin(IV) complexes with 6-thiopurine and related ligands

  摘要：

  The organotin(IV) complexes R2Sn(tpu)(2) center dot L [L = 2MeOH, R = Me (1); L = 0: R = n-Bu (2), Ph (3), PhCH2 (4)], R3Sn(Hthpu) [R = Me (5), n-Bu (6), Ph (7), PhCH2, (8)] and (R2SnCl)(2) (dtpu) center dot L [L = H2O, R = Me (9); L = 0: R = n-Bu (10). Ph (11), PhCH2 (12)] have been synthesized, where tpu, Hthpu and dtpu are the anions of 6-thiopurine (Htpu), 2-thio-6-hydroxypurine (Hthpu) and 2,6-dithiopurine (H(2)dtpu), respectively. All the complexes 1-12 have been characterized by elemental, IR, H-1, C-13 and Sn-119 NMR spectra analyses. And complexes 1, 2, 7 and 9 have also been determined by X-ray crystallography, complexes I and 2 are both six-coordinated with R2Sn coordinated to the thiol/thione S and heterocyclic N atoms but the coordination modes differed. As for complex 7 and 9, the geometries of Sri atoms are distorted trigonal bipyramidal. Moreover, the packing of complexes 1, 2, 7 and 9 are stabilized by the hydrogen bonding and weak interactions. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.12.026