ethylmercaptoborane | 20525-29-5

• 分子结构分类: 有机化合物 - 有机盐
• 英文名称: ethylmercaptoborane
• 英文别名: thioborinic acid ethyl ester；ethylsulfanyl-borane；Aethylmercapto-boran；Aethylmercaptoboran
• CAS: 20525-29-5
• 化学式: C₂H₇BS
• 分子量: 73.9546
• InChiKey: LNYQYQFDAYWLAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.29
• 重原子数：
  4.0
• 可旋转键数：
  1.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  ethylmercaptoborane 生成 (EtSBH2)3
  参考文献：
  名称：

  Grote, A.; Haag, A.; Hesse, G., Liebigs Annalen der Chemie, 1972, vol. 755, p. 67 - 85

  摘要：

  DOI：
• 作为产物：
  描述：

  乙硫醇 、 diborane(6) 以 gaseous matrix 为溶剂， 生成 ethylmercaptoborane
  参考文献：
  名称：

  Matrix isolated study of the reaction of diborane with methanethiol: spectroscopic characterization of methylmercaptoborane, H2BSCH3

  摘要：

  Merged jet copyrolysis of mixtures of Ar/B2H6 and Ar/CH3SH followed by trapping in a cryogenic matrix has led to the formation, isolation, and characterization of methylmercaptoborane, H2BSCH3. Thirteen of the 18 fundamentals of this molecule were observed, including the B-S stretching mode at 830 cm-1 (B-11). Local density functional calculations were carried out to assist in assigning the observed bands. Experiments involving Ar/B2H6 and Ar/C2H5SH were carried out in the same manner and resulted in the formation, isolation, and partial characterization of ethylmercaptoborane, H2BSC2H5. The close proximity of many of the heavy atom skeletal vibrations to those of H2BSCH3 helped confirm the production of both of these compounds. Secondary products were also observed and led to the formulation of a reaction mechanism.

  DOI：

  10.1021/j100117a011

文献信息

• Formation and properties of bis(borane)alkanethiolate salts and their conversion into µ-alkylthiodiboranes
  作者：J. J. Mielcarek、P. C. Keller

  DOI：10.1039/c39720001090

  日期：——

  Stoicheiometric quantities of KSR and B2H6 react in THF to form the thermally stable salts K[RS(BH3)2]; treatment of K[RS(BH3)2] with anhydrous acids, diborane, or iodine produces µ-RSB2H5 in moderate yield.

  化学计量的KSR和B 2 H 6在THF中反应形成热稳定的盐K [RS（BH 3）2 ]；用无水酸，乙硼烷或碘处理K [RS（BH 3）2 ]会产生中等产量的µ-RSB 2 H 5。
• Mikhailov,V.M. et al., Journal of general chemistry of the USSR, 1974, vol. 44, p. 2153 - 2157
  作者：Mikhailov,V.M. et al.

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: B: B-Verb.3, 2.7.2, page 24 - 26
  作者：

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  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: B: B-Verb.10, 1.2, page 2 - 4
  作者：

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: B: B-Verb.3, 3.5, page 64 - 65
  作者：

  DOI：——

  日期：——