diphenyl (4-chlorophenyl)-{5-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)thio]-1,3,4-thiadiazol-2-ylamino}methylphosphonate | 1519010-79-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: diphenyl (4-chlorophenyl)-{5-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)thio]-1,3,4-thiadiazol-2-ylamino}methylphosphonate
• CAS: 1519010-79-7
• 化学式: C₃₅H₃₅ClN₃O₁₂PS₂
• 分子量: 820.235
• InChiKey: KPPFKTBAYSNSPS-REQNJXLSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.83
• 重原子数：
  54.0
• 可旋转键数：
  15.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  187.77
• 氢给体数：
  1.0
• 氢受体数：
  17.0

反应信息

• 作为反应物：
  描述：

  diphenyl (4-chlorophenyl)-{5-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)thio]-1,3,4-thiadiazol-2-ylamino}methylphosphonate 在 氨 作用下， 以 甲醇 为溶剂， 以81%的产率得到diphenyl (4-chlorophenyl)-{5-[(β-D-glucopyranosyl)thio]-1,3,4-thiadiazol-2-ylamino}methylphosphonate
  参考文献：
  名称：

  Three Component Synthesis of New (1,3,4-Thiadiazolamino)Methylphosphonates, Their Glycoside and Oxygenated Alkylthio Analogs

  摘要：

  A number of (1,3,4-thiadiazol-2-ylamino)methylphosphonate derivatives were synthesized in a three component reaction. The thioglycoside derivatives and oxygenated alkylthio analogs were also prepared by reaction with halo sugars or different acyclic oxygenated alkyl halides.

  DOI：

  10.1080/10426507.2013.797417
• 作为产物：
  描述：

  亚磷酸三苯酯 在 高氯酸 、 potassium hydroxide 作用下， 以 水 、 丙酮 、 乙腈 为溶剂， 反应 6.25h， 生成 diphenyl (4-chlorophenyl)-{5-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)thio]-1,3,4-thiadiazol-2-ylamino}methylphosphonate
  参考文献：
  名称：

  Three Component Synthesis of New (1,3,4-Thiadiazolamino)Methylphosphonates, Their Glycoside and Oxygenated Alkylthio Analogs

  摘要：

  A number of (1,3,4-thiadiazol-2-ylamino)methylphosphonate derivatives were synthesized in a three component reaction. The thioglycoside derivatives and oxygenated alkylthio analogs were also prepared by reaction with halo sugars or different acyclic oxygenated alkyl halides.

  DOI：

  10.1080/10426507.2013.797417