5-n-butyl-5-(5',5'-diethyl-2'-thioxo-1',3',2'-dioxaphosphorinane-2'-thiolate)-1-oxa-4,6-dithia-5-stannocane | 267003-63-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: 5-n-butyl-5-(5',5'-diethyl-2'-thioxo-1',3',2'-dioxaphosphorinane-2'-thiolate)-1-oxa-4,6-dithia-5-stannocane
• CAS: 267003-63-4
• 化学式: C₁₅H₃₁O₃PS₄Sn
• 分子量: 537.357
• InChiKey: BBSYADUZSSMLGA-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  、 sodium 2,2-diethylpropylene dithiophosphate 以 乙醇 为溶剂， 以59%的产率得到5-n-butyl-5-(5',5'-diethyl-2'-thioxo-1',3',2'-dioxaphosphorinane-2'-thiolate)-1-oxa-4,6-dithia-5-stannocane
  参考文献：
  名称：

  Synthesis, characterization and X-ray structure of stannocanes substituted with a cyclic dithiophosphate ligand X(CH2CH2S)2SnnBu [S2P(OCH2C(Et2)CH2O)], (X=O, S): a study about the conformational tendencies and the relationship with the anomeric effect of the stannocane rings

  摘要：

  The preparation and conformational study of two stannocanes, 5-n-butyl-5-(5',5'-diethyl-2'-thioxo-1',3',2'-dioxaphosphorinane-2'-thiolate)-1-oxa-4,6-dithia-5-stannocane. O(CH2CH2S)(2)(SnBu)-Bu-n[S2P(OCH2CEt2CH2O)] (1) and 2-n-butyl-5-(5'5'-diethyl-2'-thioxo-1',3',2'-dioxaphosphorinane-2-thiotate)-1,3,6-trithia-2-stannocane S(CH2CH2S)(2)(SnBu)-Bu-n[S2P(OCH2CEt2CH2O)] (2) is reported. These compounds were prepared from the corresponding chloro-oxa and -thia-stannocanes and the sodium salt of dithiophosphoric acid (2-mercapto-2-thiono-1,3,2-dioxaphosphorinane) in ethanol. Compounds 1 and 2 were characterized by IR, EI-MS and multinuclear NMR (H-1, C-13, P-31). The molecular structures were determined by X-ray analyses. The eight-membered ring in both compounds has a boat-chair conformation with a 1,5 transannular Sn ... O (2.468 Angstrom), Sn ... S (2.94 Angstrom) interaction. The 1,3,2-dioxaphosphorinane ring in 1 and 2 present a chair conformation with the stannocane in the axial position, in accordance with the anomeric effect. The coordination of the Sn-atoms is trigonal-bipyramidal in 1 and intermediate between trigonal-bipyramidal and a bicapped tetrahedral arrangement in 2. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00694-4