(6R)-8-oxo-7t-(2-thiophen-2-yl-acetylamino)-3-[(toluene-4-sulfonylhydrazono)-methyl]-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester | 58422-39-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: (6R)-8-oxo-7t-(2-thiophen-2-yl-acetylamino)-3-[(toluene-4-sulfonylhydrazono)-methyl]-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester
• 英文别名: (6R)-8-oxo-7t-(2-thiophen-2-yl-acetylamino)-3-[(toluene-4-sulfonylhydrazono)-methyl]-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester
• CAS: 58422-39-2
• 化学式: C₃₄H₃₀N₄O₆S₃
• 分子量: 686.833
• InChiKey: CIBLBXNTEQEUKJ-CYTLCNBWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.55
• 重原子数：
  47.0
• 可旋转键数：
  11.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  134.24
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  (6R)-8-oxo-7t-(2-thiophen-2-yl-acetylamino)-3-[(toluene-4-sulfonylhydrazono)-methyl]-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester 生成 (6R)-8-oxo-7t-(2-thiophen-2-yl-acetylamino)-3-(5-trifluoromethyl-1H-[1,2,3]triazol-4-yl)-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester
  参考文献：
  名称：

  3-Cyanocephems and carbon-13 heterocyclic-substituted cephems via 1,3-dipolar cycloadditions

  摘要：

  The transformation is described of 3-formylcephem 1 into its oxime, substituted oximes, and substituted hydrazones and, thence, into the 3-cyano, 3-diazomethyl, and 3-oxonitrilomethyl derivatives. These reactive 1,3-dipoles undergo 1,3-dipolar cycloadditions with various dipolarophiles to give C-3 heterocyclic-substituted cephems.

  DOI：

  10.1021/jm00226a027