Bis(terbutylthiolato)tellurium | 104749-12-4

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: Bis(terbutylthiolato)tellurium
• 英文别名: 2-tert-butylsulfanyltellanylsulfanyl-2-methylpropane
• CAS: 104749-12-4
• 化学式: C₈H₁₈S₂Te
• 分子量: 305.963
• InChiKey: VAPURHLOETWOAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.58
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  乙硫醇 、 Bis(terbutylthiolato)tellurium 在 吡啶 作用下， 以 氘代苯 为溶剂， 生成 叔丁基硫醇 、 tellurium(II) diethanethiolate
  参考文献：
  名称：

  碲 (II) 二烷硫醇盐，Te(SR 1 ) 2 与硫醇，HSR 2 的亲核取代的动力学和机制

  摘要：

  The equilibrium reaction between tellurium(H) dithiolates and thiols, Te(SR1)(2) + 2HSR(2) reversible arrow Te(SR2)(2) + 2HSR(1) was studied by means of H-1 and Te-125 NMR spectroscopy and ab initio quantum chemical methods. It was found that the reaction is catalyzed by Bronsted acids and bases, the catalytic activity corresponding to the strength of the respective acid or base. Investigation of the initial step of the reaction, Te(SR1)(2) + HSR2 reversible arrow Te(SR1)(SR2) + HSR1, showed it to proceed according to first order kinetics for Te(SR1)(2), HSR2 and for the catalyst. Ab initio geometry optimizations and frequency calculations suggest [Te(SR1)(HSR1)(HSR2)](+) and [Te(SR1)(2)(SR2)](-) to be stable intermediates and not transition states in the acid and base catalyzed reactions, respectively. The reaction hence proceeds via all. additional elimination rather than all S(N)2 mechanism. The catalytic activity displayed by acids and bases call be applied to reduce the temperature in synthesis of thermally labile tellurium(II) dithiolates.

  DOI：

  10.1080/10426500590906337
• 作为产物：
  描述：

  叔丁基硫醇 、 tellurium(II) dimethanethiolate 在 吡啶 作用下， 以 氘代苯 为溶剂， 生成 甲硫醇 、 Bis(terbutylthiolato)tellurium
  参考文献：
  名称：

  碲 (II) 二烷硫醇盐，Te(SR 1 ) 2 与硫醇，HSR 2 的亲核取代的动力学和机制

  摘要：

  The equilibrium reaction between tellurium(H) dithiolates and thiols, Te(SR1)(2) + 2HSR(2) reversible arrow Te(SR2)(2) + 2HSR(1) was studied by means of H-1 and Te-125 NMR spectroscopy and ab initio quantum chemical methods. It was found that the reaction is catalyzed by Bronsted acids and bases, the catalytic activity corresponding to the strength of the respective acid or base. Investigation of the initial step of the reaction, Te(SR1)(2) + HSR2 reversible arrow Te(SR1)(SR2) + HSR1, showed it to proceed according to first order kinetics for Te(SR1)(2), HSR2 and for the catalyst. Ab initio geometry optimizations and frequency calculations suggest [Te(SR1)(HSR1)(HSR2)](+) and [Te(SR1)(2)(SR2)](-) to be stable intermediates and not transition states in the acid and base catalyzed reactions, respectively. The reaction hence proceeds via all. additional elimination rather than all S(N)2 mechanism. The catalytic activity displayed by acids and bases call be applied to reduce the temperature in synthesis of thermally labile tellurium(II) dithiolates.

  DOI：

  10.1080/10426500590906337

文献信息

• Kinetics and Mechanism of the Nucleophilic Substitution of Tellurium(II) Dialkanethiolates, Te(SR 1 ) 2 with Thiols, HSR 2
  作者：Holger Fleischer

  DOI：10.1080/10426500590906337

  日期：2005.2.23

  The equilibrium reaction between tellurium(H) dithiolates and thiols, Te(SR1)(2) + 2HSR(2) reversible arrow Te(SR2)(2) + 2HSR(1) was studied by means of H-1 and Te-125 NMR spectroscopy and ab initio quantum chemical methods. It was found that the reaction is catalyzed by Bronsted acids and bases, the catalytic activity corresponding to the strength of the respective acid or base. Investigation of the initial step of the reaction, Te(SR1)(2) + HSR2 reversible arrow Te(SR1)(SR2) + HSR1, showed it to proceed according to first order kinetics for Te(SR1)(2), HSR2 and for the catalyst. Ab initio geometry optimizations and frequency calculations suggest [Te(SR1)(HSR1)(HSR2)](+) and [Te(SR1)(2)(SR2)](-) to be stable intermediates and not transition states in the acid and base catalyzed reactions, respectively. The reaction hence proceeds via all. additional elimination rather than all S(N)2 mechanism. The catalytic activity displayed by acids and bases call be applied to reduce the temperature in synthesis of thermally labile tellurium(II) dithiolates.