4-amino-6-p-chlorophenyl-2-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-2,3-dihydro-3-thioxo-1,2,4-triazin-5(4H)-one | 1058140-25-2

• 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: 4-amino-6-p-chlorophenyl-2-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-2,3-dihydro-3-thioxo-1,2,4-triazin-5(4H)-one
• CAS: 1058140-25-2
• 化学式: C₂₃H₂₅ClN₄O₁₀S
• 分子量: 584.991
• InChiKey: APUCKDFYKFWKSG-QKYBYQKWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.06
• 重原子数：
  39.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  180.27
• 氢给体数：
  1.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  4-amino-6-p-chlorophenyl-2-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-2,3-dihydro-3-thioxo-1,2,4-triazin-5(4H)-one 在 溶剂黄146 、 sodium nitrite 作用下， 以80%的产率得到6-p-chlorophenyl-2-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-2,3-dihydro-3-thioxo-1,2,4-triazin-5(4H)-one
  参考文献：
  名称：

  An improved direct synthetic approach to anhydronucleosides

  摘要：

  The synthesis of anhydrothioglycosyls has been improved by studying the reaction under a variety of reaction conditions including gas phase pyrolysis, heating in a solvent of high boiling point, in the presence of different bases including triethylamine, DABCO, and DBU, and in a microwave reactor. (C) 2008 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2008.06.016
• 作为产物：
  描述：

  4-amino-6-p-chlorophenyl-2,3-dihydro-3-thioxo-1,2,4-triazin-5(4H)-one 、 2,3,4,6-四乙酰氧基-alpha-D-吡喃葡萄糖溴化物 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以78%的产率得到4-amino-6-p-chlorophenyl-2-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-2,3-dihydro-3-thioxo-1,2,4-triazin-5(4H)-one
  参考文献：
  名称：

  An improved direct synthetic approach to anhydronucleosides

  摘要：

  The synthesis of anhydrothioglycosyls has been improved by studying the reaction under a variety of reaction conditions including gas phase pyrolysis, heating in a solvent of high boiling point, in the presence of different bases including triethylamine, DABCO, and DBU, and in a microwave reactor. (C) 2008 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2008.06.016