Na[S2P(OCH2)2CMe,nPr] | 861230-61-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫代磷酸及其衍生物
• 英文名称: Na[S2P(OCH2)2CMe,nPr]
• 英文别名: sodium 5-methyl-5-n-propyl-2-thiono-1,3,2-dioxaphosphinane-2-thiolate
• CAS: 861230-61-7
• 化学式: C₇H₁₄O₂PS₂*Na
• 分子量: 248.282
• InChiKey: HGDPTWMPHGAAMG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.39
• 重原子数：
  13.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-Chloro-1,3,6,2-trithiastibocane 、 Na[S2P(OCH2)2CMe,nPr] 以 乙醇 为溶剂， 以48%的产率得到5-(5'methyl-5'-propyl-2'-thiono-2',1',3'-dioxaphosphinane-2'-thiolato)-1,3,6-trithia-2-stibocane
  参考文献：
  名称：

  Synthesis, structure and characterization of new stibocanes substituted with dithiophosphate ligands

  摘要：

  Four new stibocanes substituted with cyclic dithiophosphate ligands O(CH2CH2S)(2)SbS2P(OCH2)(2)CEt2 (1), O(CH2CH2S)(2)SbS2P(OCH2)(2)C(Me)Pr (2), S(CH2CH2S)(2)SbS2P(OCH2)(2)CEt2 (3) and S(CH2CH2S)(2)SbS2P(OCH2)(2) C(Me)Pr (4) were prepared from the corresponding chloro oxa- and thia-stibocanes and the sodium salt of the dithiophosphoric acids 5,5-diethyl-(2-mercapto-2-thiono-1,3,2-dioxaphosphinane) and 5-methyl-5-propyl-(2-mercapto-2-thiono-1,3,2-dioxaphosphinane) in ethanol. The compounds obtained were characterized by IR, EI-MS and multinuclear NMR (H-1, C-13, P-31) spectroscopies. The single-crystal structures of 1 and 2 were determined which show the presence of three types of secondary bonding: i.e. strong Sb---O transannular interactions of 2.607(4) and 2.600(4) angstrom, respectively, anisobidentate coordination of the ligand (exocyclic chelation) average Sb---S distance 3.355 angstrom and intermolecular interactions that lead to supramolecular associations. The coordination geometry around antimony atom in both 1 and 2 can be described as Psi tricapped trigonal bipyramidal AB(4)CD(2)E. The eight membered ring presents a boat-chair conformation in both compounds and the 1,3,2-dioxaphosphinane ring has the chair conformation, with the stibocane in the axial position. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.02.001

文献信息

• Synthesis and spectroscopic characterization of eleven mixed-ligand diorganotellurium(IV) compounds containing dithiocarbamate and dithiophosphate ligands
  作者：Ave María Cotero-Villegas、Patricia García y García、Herbert Höpfl、María del Carmen Pérez-Redondo、Patricia Martínez-Salas、Marcela López-Cardoso、Raymundo Cea Olivares

  DOI：10.1016/j.jorganchem.2010.11.006

  日期：2011.5

  secondary Te⋯S interactions are considered also, the coordination sphere around tellurium is best described as bicapped Ψ-trigonal-bipyramidal for the complexes with two intramolecular Te⋯S secondary bonds and monomeric molecular structures, and pentagonal-bipyramidal for the complexes in which neighboring molecules in the crystal lattice are linked through additional weak intermolecular Te⋯S secondary

  已使用两种不同的二硫代氨基甲酸酯（dtc）和二硫代磷酸酯（dtp）配体制备了11种组成为R 2 Te（dtc）（dtp）的混合配体有机碲（IV）化合物：1，R 2  = C 4 H 8，dtc = S 2 CNEt 2，dtp ＝ S 2 P（OCH 2）2 CEt 2；2，R 2  ＝ C 8 H 8，dtc ＝ S 2 CNEt 2，dtp ＝ S 2 P（OCH 2）2 CEt 2；第三名，R 2  ＝ C 4 H 8 O，dtc ＝ S 2 CNEt 2，dtp ＝ S 2 P（OCH 2）2 CEt 2；在图4中，R 2  ＝ C 5 H 10，dtc ＝ S 2 CNEt 2，dtp ＝ S 2 P（OCH 2）2 CEt 2。5，R 2  ＝ C 4 H 8，dtc ＝ S 2 CN（CH 2）4，dtp ＝ S 2P（OCH 2）2 CEt 2；在图6中，R 2  ＝ C 8