Acetic acid (2S,3R,4S,5R,6R)-4,5-diacetoxy-6-acetoxymethyl-2-(3-cyano-4,6-diphenyl-5-phenylazo-pyridin-2-ylsulfanyl)-tetrahydro-pyran-3-yl ester | 444102-91-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: Acetic acid (2S,3R,4S,5R,6R)-4,5-diacetoxy-6-acetoxymethyl-2-(3-cyano-4,6-diphenyl-5-phenylazo-pyridin-2-ylsulfanyl)-tetrahydro-pyran-3-yl ester
• 英文别名: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(3-cyano-4,6-diphenyl-5-phenyldiazenylpyridin-2-yl)sulfanyloxan-2-yl]methyl acetate
• CAS: 444102-91-4
• 化学式: C₃₈H₃₄N₄O₉S
• 分子量: 722.775
• InChiKey: WOSCIEYMRLFIGC-AISVXBLPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  52
• 可旋转键数：
  15
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  201
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  Acetic acid (2S,3R,4S,5R,6R)-4,5-diacetoxy-6-acetoxymethyl-2-(3-cyano-4,6-diphenyl-5-phenylazo-pyridin-2-ylsulfanyl)-tetrahydro-pyran-3-yl ester 在 氨 作用下， 以 甲醇 为溶剂， 以84%的产率得到4,6-Diphenyl-5-phenylazo-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylsulfanyl)-nicotinonitrile
  参考文献：
  名称：

  SYNTHESIS AND BIOLOGICAL EVALUATION OF S-GLYCOSYLATED PYRIDINES

  摘要：

  The formation of thioglycosides 7a-j and 10a-j via the reaction of sodium salts of thiopyridines 3a-e with glycosyl bromides 6a,b has been studied. Comparison with the products obtained from silylated thiopyridines 8a-e and peracetylated sugars 9a,b is made. C-13 NMR was utilized to elucidate the proposed structures of the products.

  DOI：

  10.1081/ncn-120003286
• 作为产物：
  描述：

  diphenyl-propanetrione-2-phenylhydrazone 在 sodium ethanolate 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 6.0h， 生成 Acetic acid (2S,3R,4S,5R,6R)-4,5-diacetoxy-6-acetoxymethyl-2-(3-cyano-4,6-diphenyl-5-phenylazo-pyridin-2-ylsulfanyl)-tetrahydro-pyran-3-yl ester
  参考文献：
  名称：

  SYNTHESIS AND BIOLOGICAL EVALUATION OF S-GLYCOSYLATED PYRIDINES

  摘要：

  The formation of thioglycosides 7a-j and 10a-j via the reaction of sodium salts of thiopyridines 3a-e with glycosyl bromides 6a,b has been studied. Comparison with the products obtained from silylated thiopyridines 8a-e and peracetylated sugars 9a,b is made. C-13 NMR was utilized to elucidate the proposed structures of the products.

  DOI：

  10.1081/ncn-120003286