5-methyl-1,2,3-benzotrithiole 2-oxide | 13686-81-2

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 5-methyl-1,2,3-benzotrithiole 2-oxide
• 英文别名: 5-methylbenzotrithiole 2-oxide；Schwefel(IV)-saeure-bis-thio-<4-methyl-o-phenylester>；Schwefel(IV)-saeure-bisthio-(4-methyl-o-phenylenester)；5-Methyl-o-benzotrithiolon-2；5-Methyl-benzotrithiolon-2
• CAS: 13686-81-2
• 化学式: C₇H₆OS₃
• 分子量: 202.322
• InChiKey: XVSHNNSBVMIJGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.77
• 重原子数：
  11.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  5-methyl-1,2,3-benzotrithiole 2-oxide 以 乙腈 为溶剂， 反应 1.0h， 生成 5-methyl-1,2,3-benzotrithiole 1-oxide 、 6-methyl-1,2,3-benzotrithiole 1-oxide
  参考文献：
  名称：

  First example of intramolecular photochemical oxygen migration from benzotrithiole 2-oxides to benzotrithiole 1-oxides

  摘要：

  Irradiation of 4,8-dialkylbenzo[1,2-d;4,5-d']bis[1,2,3]trithiole 2-oxides (2) in acetonitrile with a high pressure mercury lamp gave 4,8-dialkylbenzo[1,2-d;4,5-d']bis[1,2,3]trithiole 1-oxides (3) quantitatively. The present photochemical oxygen migrations of 2 and related sulfoxides were shown to proceed intramolecularly via an excited singlet state by O-18-labeled, cross-over, and triplet quencher experiments.

  DOI：

  10.1016/s0040-4039(00)61649-0
• 作为产物：
  描述：

  甲苯-3,4-二硫酚 在 氯化亚砜 作用下， 以 苯 为溶剂， 反应 1.0h， 以78%的产率得到5-methyl-1,2,3-benzotrithiole 2-oxide
  参考文献：
  名称：

  Yomoji, Naoki; Takahashi, Shouichi; Chida, Shin-ichi, Journal of the Chemical Society. Perkin transactions I, 1993, # 17, p. 1995 - 2000

  摘要：

  DOI：

文献信息

• Organic Disulfides and Related Substances. XIX. Alkyl and Aryl Dithiosulfites^1a,b
  作者：Lamar Field、William B. Lacefield

  DOI：10.1021/jo01349a020

  日期：1966.11
• Yomoji, Naoki; Takahashi, Shouichi; Chida, Shin-ichi, Journal of the Chemical Society. Perkin transactions I, 1993, # 17, p. 1995 - 2000
  作者：Yomoji, Naoki、Takahashi, Shouichi、Chida, Shin-ichi、Ogawa, Satoshi、Sato, Ryu

  DOI：——

  日期：——
• First example of intramolecular photochemical oxygen migration from benzotrithiole 2-oxides to benzotrithiole 1-oxides
  作者：Naoki Yomoji、Shin-ichi Satoh、Satoshi Ogawa、Ryu Sato

  DOI：10.1016/s0040-4039(00)61649-0

  日期：1993.1

  Irradiation of 4,8-dialkylbenzo[1,2-d;4,5-d']bis[1,2,3]trithiole 2-oxides (2) in acetonitrile with a high pressure mercury lamp gave 4,8-dialkylbenzo[1,2-d;4,5-d']bis[1,2,3]trithiole 1-oxides (3) quantitatively. The present photochemical oxygen migrations of 2 and related sulfoxides were shown to proceed intramolecularly via an excited singlet state by O-18-labeled, cross-over, and triplet quencher experiments.