| 200336-52-3

• 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
• CAS: 200336-52-3
• 化学式: C₇H₁₀N*C₁₀H₇O₄S₈Sn
• 分子量: 674.564
• InChiKey: AHGKXYYKRKBJND-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  、 3-(三氯锡)丙酸甲酯 以 甲醇 为溶剂， 以58%的产率得到
  参考文献：
  名称：

  Some further studies of estertin compounds. crystal structures of [NEt4][MeO2CCH2CH2Sn(dmio)2] (dmio = 1,3-dithiole-2-one-4,5-dithiolato) and (MeO2CCH2CH2)2SnX2[X2 = I2, (NCS)2 or Cl, Br]

  摘要：

  Estertin compounds, (MeO2CCH2CH2)(2)SnX2 [X-2 = I-2 (2); X-2 = Br-2 (9); X-2 = Cl,Br (4); or X-2 = (NCS), (3)] have been obtained by halide exchange reactions of (MeO2CCH2CH2)(2)SnCl2. Crystal structure determinations of 2-4 revealed chelating MeO2CCH2CH2 units with distorted octahedral geometries at tin. The Sn-O bond lengths in the isothiocyanato complex, 3, are shorter [2.390(11) to 2.498(12), mean 2.439 Angstrom], with the chelate bite angles, C-Sn-O, larger [74.3(7) to 78.2(6), mean 76.0 degrees] than those in the halide analogues 2 and 4 [Sn-O = 2.519(2) to 2.541(8), mean 2.530 Angstrom; C-Sn-O 72.8(3) to 73.9(4), mean 73.3 degrees]. H-1, C-13 and Sn-119 NMR and IR spectra of 2-4 and 9 were determined in CDCl3 solution : the NMR spectra of (MeO2CCH2CH2)(2)SnX2 show the following trends: (i) both delta(1)H(alpha) and delta(13)C(alpha), increase and (ii) both (2)J(Sn-H) and (1)J(Sn-C) decrease in the sequence X-2 = (NCS)(2), Cl-2, ClBr, Br-2 and I-2. The MeO2CCH2CH2 and dmio groups (dmio = 1,3-dithiole-2-one-4,5-dithiolato) are all chelating groups in (MeO2CCH2CH2)(2)Sn(dmio) (5). As shown by X-ray crystallography, the tin atom in the anion of solid [Q][MeO2CCH2CH2Sn(dmio)(2)] 6 (Q = NEt4) forms 5 strong bonds [to C and the 4 thiolato S atoms, Sn-S 2.459(2) to 2.559(2) Angstrom], arranged in a near trigonal bipyramidal array. There is an additional intramolecular, but weaker, interaction with the carbonyl oxygen atom [Sn-O = 3.111(5) Angstrom]; v(C=O) = 1714 cm(-1) in solid 6 (Q = NEt4). NMR spectra of 5 and 6 are also reported. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0277-5387(97)00226-x