| 250676-47-2

• CAS: 250676-47-2
• 化学式: C₈H₁₇ClOS₂Sn
• 分子量: 347.517
• InChiKey: OLBQBPJIZBBFHS-UHFFFAOYSA-K

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

• 作为反应物：
  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

文献信息

• Organometallic tin(IV) derivatives of the ambidentate O-cholesteryl-O-phenyl phosphorothioate ligand
  作者：Marcela López-Cardoso、Patricia Garcı́a y Garcı́a、Alejandro Rogers-Sakuma、Raymundo Cea-Olivares

  DOI：10.1016/s0277-5387(00)00396-x

  日期：2000.7

  Organotin(IV) compounds of the potentially ambidentate O-cholesteryl-O-phenyl phosphorothioate ligand formulated as Me3SnOSPR'R" (1), Ph3SnOSPR'R" (2), O(CH2CH2,S)(2)Sn(n-Bu)OSPR'R'' (3), S(CH2CH2S)(2)Sn(n-Bu)OSPR'R" (4), (R' = O-Ph; R" = O-cholesteryl) were obtained and characterized by elemental analyses, IR, MS and multinuclear NMR (H-1, C-13, P-31 and Sn-119) spectroscopy. The spectroscopic data are consistent with bonding of the phosphorothioate ligand through both sulfur and oxygen atoms to the Sn(IV) center. (C) 2000 Elsevier Science Ltd. All rights reserved.