ethylene phenylphosphonotrithioate | 29021-62-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethylene phenylphosphonotrithioate
• 英文别名: Ethylene phenyltrithiophosphonate；2,5-Dithio-1-phenyl-1-thiophosphorcyclopentan；2,5-Dithio-1-phenylthiophosphor-cyclopentan；2-Phenyl-1,3,2lambda~5~-dithiaphospholane-2-thione；2-phenyl-2-sulfanylidene-1,3,2λ5-dithiaphospholane
• CAS: 29021-62-3
• 化学式: C₈H₉PS₃
• 分子量: 232.331
• InChiKey: CVLATNYGAIXZSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  82.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethylene phenylphosphonotrithioate 以67%的产率得到
  参考文献：
  名称：

  Martin Stephen F., Wagman Allan S., Zipp G. Greg, Gratchev Mikhail K., J. Org. Chem, 59 (1994) N 26, S 7957-7958

  摘要：

  DOI：
• 作为产物：
  描述：

  2-Chloro-1,3,2-dithiaphospholane 以82%的产率得到
  参考文献：
  名称：

  Martin Stephen F., Wagman Allan S., Zipp G. Greg, Gratchev Mikhail K., J. Org. Chem, 59 (1994) N 26, S 7957-7958

  摘要：

  DOI：

文献信息

• Process for production of thiophosphonates
  申请人：ICI Americas Inc.

  公开号：US04956487A1

  公开（公告）日：1990-09-11

  Thiophosphonate compounds having the formula ##STR1## in which R is alkyl, haloalkyl or aryl; X is chloro or SR.sub.2 ; R.sub.1 is alkyl or aryl; and when X is SR.sub.2 then R.sub.2 is a group identical to R.sub.1, or R.sub.1 and R.sub.2 taken together form an optionally alkyl-substituted polymethylene group, are prepared by reaction of a thiophosphonodichloride with a mercaptan in the presence of a catalytic amount of a quaternary ammonium or phosphonium salt, a tertiary amine or hydrohalide thereof or an alkali metal halide combined with a Crown ether, in the substantial absence of a base.

  具有以下结构的噻磷酸酯化合物##STR1##其中R为烷基、卤代烷基或芳基；X为氯或SR.sub.2；R.sub.1为烷基或芳基；当X为SR.sub.2时，R.sub.2为与R.sub.1相同的基团，或者R.sub.1和R.sub.2一起形成一个可选择烷基取代的聚亚甲基基团，通过噻磷酸二氯化物与巯基化合物在四级铵盐或磷酸盐、三级胺或其氢卤化物或碱金属卤化物与冠醚的催化作用下反应制备，基本上不含碱。
• General Route to Phosphonodithioic Acid Derivatives
  作者：Stephen F. Martin、Allan S. Wagman、G. Greg Zipp、Mikhail K. Gratchev

  DOI：10.1021/jo00105a007

  日期：1994.12

  A general procedure for the synthesis of esters of phosphonodithioic acids has been developed. The method involves the reaction of the Grignard reagents 2a-h with 2-chloro-1,3,2-dithiaphospholane (1) to give 3a-h that were sulfurized using elemental sulfur to furnish the intermediate phosphonotrithioates 4a-h, reaction of which with a variety of alcohols in the presence of DBU furnished the desired phosphonodithioates 5a-h and 6-9.
• 2-THIOXO-1,3,2-DITHIAPHOSPHOLANES -SOLID-STATE MAS NMR AND CRYSTAL STRUCTURE INVESTIGATIONS AS WELL AS IGLO CALCULATIONS OF ³¹P SHIELDING TENSORS
  作者：Peggy Schwarz、Gisela Ohms、Kerstin Krüger、Gisbert Grossmann、Volker Kaiser

  DOI：10.1080/10426509808033718

  日期：1998.10.1

  2-Thioxo-1,3,2-dithiaphospholanes with P-substituents R=Me, Et, i-Pr, t-Bu, Ph, 3,5-Me2C6H3, and 4-MeOC6H4 were prepared and characterized by solution and high resolution solid-state P-31 and C-13 NMR spectroscopy. The influence of different alkyl and aryl substituents at the phosphorus atom on the anisotropy of P-31 chemical shift and on the molecular structure is discussed. The orientation of the principal axes with respect to the molecular fro-me is predicted from the solid-state P-31 NMR results. Quantum chemical calculations of the P-31 shielding tensors by the IGLO method confirm these results. The crystal structures of 2-tert-butyl-2-thioxo-1,3,2-dithiaphospholane and 2-(3,5-dimethylphenyl)-2-thioxo-1,3,2-dithiaphospholane are presented and discussed.
• Robbins, J. D.; Bowler, D. J.; Gless, R. D., Phosphorus, Sulfur and Silicon and the Related Elements, 1992, vol. 68, # 1-4, p. 147 - 154
  作者：Robbins, J. D.、Bowler, D. J.、Gless, R. D.

  DOI：——

  日期：——
• Peake,S.C. et al., Journal of the Chemical Society. Perkin transactions II, 1972, p. 380 - 385
  作者：Peake,S.C. et al.

  DOI：——

  日期：——