钠O,O-二环己基二硫代磷酸盐 | 33581-25-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机二硫代磷酸及其衍生物
• 中文名称: 钠O,O-二环己基二硫代磷酸盐
• 英文名称: sodium O,O'-di-cyclo-hexyldithiophosphate
• 英文别名: sodium O,O-dicyclohexyldithiophosphate；sodium dicyclohexyldithiophosphate；Sodium O,O-dicyclohexyl dithiophosphate；sodium;dicyclohexyloxy-sulfanylidene-sulfido-λ5-phosphane
• CAS: 33581-25-8
• 化学式: C₁₂H₂₂O₂PS₂*Na
• 分子量: 316.401
• InChiKey: BTDDXWJYTYAFQF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.46
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  钠O,O-二环己基二硫代磷酸盐 、 zinc(II) chloride 以 水 为溶剂， 生成 bis[(μ2-O,O'-dicyclohexyldithiophosphato-S,S')(O,O'-dicyclohexyldithiophosphato)dizinc(II)]
  参考文献：
  名称：

  Polycrystalline and surface O,O′-dialkyldithiophosphate zinc(II) complexes: preparation, 31P CP/MAS NMR and single-crystal X-ray diffraction studies

  摘要：

  Dithiophosphate zinc(II) complexes with eight different O,O'-dialkyldithiophosphate ligands have been prepared in solid/liquid states and as surface complexes on a synthetic sphalerite, and studied by means of P-31 NMR spectroscopy. All P-31 resonances, corresponding to dithiophosphate ligands with different structural functions (i.e. terminal chelating or bridging between two metal atoms in bi- and tetranuclear complexes), have been assigned on the basis of comparative analyses of chemical shift data for solid complexes, their melts and chloroform solutions at various concentrations. The bridging coordination of O,O'-dialkyldithiophosphate ligands by the two neighbouring zinc(II) atoms was established in the case of zinc(II) complexes formed at the surface of the synthetic sphalerite. In addition, novel molecular and crystal structures of the binuclear O,O'-di-cyclo-hexyldithiophosphate zinc(II) complex have been resolved by single-crystal X-ray diffraction data analysis, and useful correlations with P-31 NMR data for this complex were obtained. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(01)00293-6

文献信息

• Molecular Pharmacological Studies on Drug-Receptor Complexes System in Drug Action. IV. Relationship between Anticholinergic and Anticholinesterase Activities of Organophosphoryl Choline Derivatives based on their Chemical Structure
  作者：Masayasu Kimura、Isamu Saikawa

  DOI：10.1248/cpb.12.159

  日期：——

  To clarify the relationship between anticholinergic and anticholinesterase (anti-ChE) activities on the basis of chemical structure, nineteen organophosphoryl choline derivatives [chemical formula] were synthesized. Curare-like, atropine-like and anticholinesterase actions of these compounds were tested to screen. The experimental results were as follows : 1) Curare-like and atropine-like actions were both studied by Magnus method, observing their effect on rectus abdominis of frog and on intestines of white mice. Anti-ChE action on enzyme preparation from rabbit serum was tested by using Warburg's manometric method. 2) As to the basic structure of various organophosphoryl choline derivatives, curarelike action was increased in the following order of magnitude ; [chemical formula]. The R radicals increased the potency in the following order ; [chemical formula] and as for quaternary ammonium salts of derivatives, bromides were more potent than iodides. From these compounds it was found that four derivatives of NP-244 (I), NP-245 (I), NP-244pC (I) and NP244pB (I) was more potent than curare. 3) On the atropine-like action of organophosphoryl choline derivatives, the relation between their structure and potency was found to have the same tendency as in the case of curare-like action, but all of these derivative were weaker than that of atropine. 4) On the anti-ChE action of organophosphoryl choline, the basic structures increased its potency in the following order ; [chemical formula], but the change in R radicals did not always increase the potency of their curare-like action. All of these derivatives were weaker than neostigmine. 5) The relationship between curare-like and atropine-like actions and between curare-like and anti-ChE actions were discussed with the selective indexes calculated from experimental results. Some of thionothiol-phosphate have both curare-like and ChE activity, and its curare-like action is little antagonized by neostigmine. From these facts, it was suggested that acetylcholine receptor was perhaps different from ChE.

  羧胺。
• Pantaleo, Daniel C.; Johnson, Ronald C., Inorganic Chemistry, 1971, vol. 10, # 6, p. 1298 - 1301
  作者：Pantaleo, Daniel C.、Johnson, Ronald C.

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Nb: MVol.B4, 41.2.6.12.6, page 470 - 471
  作者：

  DOI：——

  日期：——
• The X-ray crystal structure of bis(dicyclohexyldithiophosphato)cadmium(II)
  作者：JoséS. Casas、Alfonso Castiñeiras、María S. Garcia-Tasende、Agustín Sánchez、José Sordo、Ezequiel M. Vázquez-López

  DOI：10.1016/0277-5387(95)00036-r

  日期：1995.8

  The compound bis(dicyclohexyldithiophosphato)cadmium(II), [Cd S2P (OCy)(2)}(2)], has been obtained by reacting cadmium(II) perchlorate with the sodium salt of dicyclohexyldithiophosphoric acid in ethanol. Its structure was solved by X-ray diffraction. The structure consists of dimers in which each metal centre is coordinated by a chelating ligand and two bridging ligands, giving a coordination number of 4. The two bridging ligands and the two cadmium atoms form an eight-membered ring with a twisted chair conformation.
• Xiong, Ren-Gen; You, Xiao-Zeng, Acta Crystallographica, Section C: Crystal Structure Communications, <hi>1995</hi>, vol. 51, p. 2484 - 2486
  作者：Xiong, Ren-Gen、You, Xiao-Zeng

  DOI：——

  日期：——