2-[(2-methyl-2H-tetrazol-5-yl)sulfanyl]-1-phenylethanone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[(2-methyl-2H-tetrazol-5-yl)sulfanyl]-1-phenylethanone
• 英文别名: 2-[(2-Methyl-2 h-tetrazol-5-yl)-sulfanyl]-1-phenylethanone；2-(2-methyltetrazol-5-yl)sulfanyl-1-phenylethanone
• 化学式: C₁₀H₁₀N₄OS
• 分子量: 234.282
• InChiKey: SBUVUEMJCSUTDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  86
• 氢给体数：
  0
• 氢受体数：
  5

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  ——	2-(1H-tetrazol-5-ylsulfanyl)-1-phenylethanone	61631-62-7	C9H8N4OS	220.255

反应信息

• 作为反应物：
  描述：

  2-[(2-methyl-2H-tetrazol-5-yl)sulfanyl]-1-phenylethanone 在 magnesium 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 以82%的产率得到2-甲基-2H-四唑-5-硫醇
  参考文献：
  名称：

  Synthesis of 2-Substituted Tetrazole-5-Thiols and 5,5'-Disulfandiylbis(2-Alkyl-2H-Tetrazoles)

  摘要：

  A method has been proposed for the synthesis of 2-alkyltetrazole-5-thiols. It was shown that these compounds are readily oxidized to the corresponding disulfides and their further functionalization has been studied.

  DOI：

  10.1007/s10593-014-1500-9
• 作为产物：
  描述：

  苯乙酰基硫氰酸酯 在 sodium azide 、 potassium carbonate 、 zinc(II) chloride 作用下， 以 丙酮 为溶剂， 反应 1.0h， 生成 2-[(2-methyl-2H-tetrazol-5-yl)sulfanyl]-1-phenylethanone
  参考文献：
  名称：

  Synthesis of 2-Substituted Tetrazole-5-Thiols and 5,5'-Disulfandiylbis(2-Alkyl-2H-Tetrazoles)

  摘要：

  A method has been proposed for the synthesis of 2-alkyltetrazole-5-thiols. It was shown that these compounds are readily oxidized to the corresponding disulfides and their further functionalization has been studied.

  DOI：

  10.1007/s10593-014-1500-9

文献信息

• Synthesis of 2-Substituted Tetrazole-5-Thiols and 5,5'-Disulfandiylbis(2-Alkyl-2H-Tetrazoles)
  作者：S. V. Vorona、T. V. Artamonova、K. A. Kitchenko、Yu. E. Zevatskii、L. V. Myznikov

  DOI：10.1007/s10593-014-1500-9

  日期：2014.7

  A method has been proposed for the synthesis of 2-alkyltetrazole-5-thiols. It was shown that these compounds are readily oxidized to the corresponding disulfides and their further functionalization has been studied.