bis(propylthio)acetylene | 4533-93-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫基化合物
• 英文名称: bis(propylthio)acetylene
• 英文别名: bis-propylsulfanyl-ethyne；((n-propyl)SC)2；1-{[(Propylsulfanyl)ethynyl]sulfanyl}propane；1-(2-propylsulfanylethynylsulfanyl)propane
• CAS: 4533-93-1
• 化学式: C₈H₁₄S₂
• 分子量: 174.331
• InChiKey: RZPIWMIEHJRBHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  10
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  bis(propylthio)acetylene 在 dibromobis(triphenylphosphine)nickel(II) 作用下， 以 四氢呋喃 为溶剂， 反应 72.0h， 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Fanghaenel, E.; Richter, A. M.; Kordts, B., Phosphorus, Sulfur and Silicon and the Related Elements, 1989, vol. 43, # 1-2, p. 165 - 186

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2-dichlorovinyl propyl sulfide 在 氢氧化钾 、 sodium 作用下， 以 二甲基亚砜 为溶剂， 生成 bis(propylthio)acetylene
  参考文献：
  名称：

  Reactions of?, ?-dichlorovinyl organyl sulfides with thiols and the synthesis of bis(organylthio)acetylenes

  摘要：

  DOI：

  10.1007/bf00923877

文献信息

• CpCo-Stabilized Cyclopentadienones from Cyclobutadiene Complexes:  Experimental and Theoretical Investigations
  作者：Carsten Schaefer、Daniel B. Werz、Tobias H. Staeb、Rolf Gleiter、Frank Rominger

  DOI：10.1021/om050048r

  日期：2005.4.1

  The reaction of 1,4,8,11-tetrathiacyclotetradeca-2,9-diyne (7) with C5H4(CO2Me)Co(CO)(2) (8) and C5H4(SiMe3)Co(CO)(2) (10) led to the tricyclic cyclopentadienone complexes 9 and 11. In both species the CO was inserted into a former triple bond. This observation led to the preparation of the tetrathiaalkyl- and tetrathiaaryl-substituted C5H4(CO2Me)Co-capped cyclobutadiene complexes 23 and 27-30. When these compounds were heated under a pressurized CO atmosphere at 170 degrees C, the corresponding cyclopentadienone complexes 9, 15, and 31-33 were formed. Model calculations at the B3LYP level of theory on tetrasubstituted (R = CH3, SH, (CH2)(3), S-CH2-S) CpCo-capped cyclobutadiene complexes showed that the substitution, especially by SH and S-CH2-S, considerably lowered the energy of the assumed intermediate metallacycles 35 and 36, which opens the possibility of reaction.
• The stereochemistry of the reaction of tetrachloroethylene with p-toluene-thiolate reagent
  作者：W.E. Truce、M.G. Rossmann、F.M. Perry、R.M. Burnett、D.J. Abraham

  DOI：10.1016/s0040-4020(01)98375-9

  日期：1965.1
• Martynov, Alexander V.; Guillanton, Georges Le, Bulletin de la Societe Chimique de France, 1997, vol. 134, # 8-9, p. 823 - 831
  作者：Martynov, Alexander V.、Guillanton, Georges Le

  DOI：——

  日期：——
• PHASE TRANSFER CATALYSIS IN SYNTHESIS OF ORGANYLTHIO (ORGANYLTELLURO) ACETYLENES
  作者：Alexander V. Martynov、Anna N. Mirskova、Georges Le Guillanton

  DOI：10.1080/10426509808032470

  日期：1998.1

  Phase transfer reaction of diorganyl ditellurides with organyl-2,2-dichlorovinyl sulfides, using as phase transfer catalysts benzyltriethylammonium chloride or 18-crown-6 ether, was used as a new general method to prepare organylthio(organyltelluro)acetylenes R-S-C=C-Te-R'. The organyltellurolate anion formed in the presence of NaOH is the reaction intermediate.
• Darstellung und reaktionen von [bis(alkylthio)vinyliden] triphenylphosphoranen
  作者：Hans Jürgen Bestmann、Kurt Roth

  DOI：10.1016/s0040-4039(01)90410-1

  日期：1981.1