Tetra-n-butylammoniumtetrakis(methylthio)benzol-6-thiol-5-thiolat | 157559-00-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚类
• 英文名称: Tetra-n-butylammoniumtetrakis(methylthio)benzol-6-thiol-5-thiolat
• 英文别名: tetrabutylazanium;2,3,4,5-tetrakis(methylsulfanyl)-6-sulfanylbenzenethiolate
• CAS: 157559-00-7
• 化学式: C₁₀H₁₃S₆*C₁₆H₃₆N
• 分子量: 568.078
• InChiKey: GXUOUUIBRLBMKQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  9.77
• 重原子数：
  33.0
• 可旋转键数：
  16.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  0.0
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  二氯二茂钛 、 Tetra-n-butylammoniumtetrakis(methylthio)benzol-6-thiol-5-thiolat 以 丙酮 为溶剂， 以63%的产率得到2,2-bis(π-cyclopentadienyl)-4,5,6,7-tetrakis(methylthio)-1,3-dithia-2-titanaindan
  参考文献：
  名称：

  Fanghaenel, Egon; Bierwisch, Joerg; Ullrich, Andreas, Chemische Berichte, 1995, vol. 128, # 10, p. 1047 - 1050

  摘要：

  DOI：
• 作为产物：
  描述：

  四丁基溴化铵 、 4,5,6,7-tetrakis(methylthio)-1,3-benzodithiole-2-thione 在 sodium hydroxide 作用下， 生成 Tetra-n-butylammoniumtetrakis(methylthio)benzol-6-thiol-5-thiolat
  参考文献：
  名称：

  Alkylthio-substituierte Bis(benzol-1,2-dithiolato)zinkate, Benzol-1,2-dithiole und -1,2-dithiolate - Edukte f�r Dibenzo[c,g](1,2,5,6)tetrathiocine und Benzo[c](1,2,3)-trithiole; Untersuchungen zu Benzodithieten und ortho-Dithiobenzochinonen

  摘要：

  Using benzenehexathiolate 1 it is possible to synthesize alkylthio-substituted benzo-1,3-dithiole-2-thiones 2, or -ones 3 and benzo-di(1,3-dithiole-2-thiones) 4, or -ones 5, resp., which were cleaved under basic conditions. The generated benzene-1,2-dithiolates 7 were isolated as benzenedithiolato zincates 8, benzene-1,2-dithioles 11, and benzene-1-thiole-2-thiolates 10. Dibenzo[c,g](1,2,5,6)-tetrathiocins 9 were synthesized by oxidation of 7 or 8 in good yields. For the per(methylthio)-substituted tetrathiocin 9a the twist conformation was proved by x-ray structure analysis.The tetrathiocin 9a was probably formed via the orthodithiobenzoquinone 13a. Photolysis of 3a at room temperature in solution led to 9a and tetrakis(methylthio)benzo[c] (1,2,3)trithiole 12a as the main product, which was also formed by irradiation of 9a. The trithioles 12 were formed from 8 by reaction with sulfur dichloride. 12a was investigated by x-ray structure analysis. ortho-Dithiobenzoquinone 13c can be claimed as an intermediate upon irradiation of benzo-1,3-dithiol-2-one 3c in an argon matrix at 10 K. Depending on the wavelength the equilibrium lies either on the side of dithiobenzoquinone 13c or benzodithiete 14c. The same is true for system 15/16, which can be reached by flash vacuum pyrolysis of 3c.

  DOI：

  10.1002/prac.19943360512