| 203251-79-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃二恶英
• CAS: 203251-79-0
• 化学式: C₂₉H₄₁N₄O₉P
• 分子量: 620.64
• InChiKey: PTBMEARVVZCUJX-AKHRKWQNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.54
• 重原子数：
  43.0
• 可旋转键数：
  17.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  142.91
• 氢给体数：
  0.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  在 palladium on activated charcoal 盐酸 、 氢气 作用下， 以 乙醇 、 水 为溶剂， 25.0 ℃ 、5.0 MPa 条件下， 反应 5.0h， 生成
  参考文献：
  名称：

  Synthesis of Carbohydrate Haptens to be Used for Generation of Catalytic Antibodies

  摘要：

  The glycoside 2-(2-azidoethoxy)ethyl 2-O-benzyl-4,6-O-benzylidene-beta-D-glucopyranoside was prepared and then reacted, first with methyl phosphonyl dichloride, then with dimethylaminoethanol, to give the methylphosphonyl diester 9. N-Methylation of 9 with methyl iodide and subsequent catalytic hydrogenation gave the methylphosphonyl diester 11. The corresponding phenylphosphonyl diester 14 was also prepared in a similar way. The phosphonyl diesters 11 and 14 are analogs of the transition states for 3-O-acetylation and 3-O-benzoylation of P-D glucopyranose derivatives with acetyl-and benzoylcholine, respectively. They will be used for generation of catalytic antibodies.

  DOI：

  10.1080/07328309808005774
• 作为产物：
  描述：

  2,3,4,6-tetra-O-benzoylglucosyl bromide 在 sodium hydroxide 、 sodium methylate 、 silver trifluoromethanesulfonate 、 四丁基硫酸氢铵 、 zinc(II) chloride 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 75.5h， 生成
  参考文献：
  名称：

  Synthesis of Carbohydrate Haptens to be Used for Generation of Catalytic Antibodies

  摘要：

  The glycoside 2-(2-azidoethoxy)ethyl 2-O-benzyl-4,6-O-benzylidene-beta-D-glucopyranoside was prepared and then reacted, first with methyl phosphonyl dichloride, then with dimethylaminoethanol, to give the methylphosphonyl diester 9. N-Methylation of 9 with methyl iodide and subsequent catalytic hydrogenation gave the methylphosphonyl diester 11. The corresponding phenylphosphonyl diester 14 was also prepared in a similar way. The phosphonyl diesters 11 and 14 are analogs of the transition states for 3-O-acetylation and 3-O-benzoylation of P-D glucopyranose derivatives with acetyl-and benzoylcholine, respectively. They will be used for generation of catalytic antibodies.

  DOI：

  10.1080/07328309808005774