2-aminomethyl-3-(2-methoxycarbonylethyl)-4-methoxycarbonylmethylfuran | 153432-35-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-aminomethyl-3-(2-methoxycarbonylethyl)-4-methoxycarbonylmethylfuran
• 英文别名: Methyl 3-[2-(aminomethyl)-4-(2-methoxy-2-oxoethyl)furan-3-yl]propanoate
• CAS: 153432-35-0
• 化学式: C₁₂H₁₇NO₅
• 分子量: 255.271
• InChiKey: MLINYUKIJNZUQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  91.8
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-aminomethyl-3-(2-methoxycarbonylethyl)-4-methoxycarbonylmethylfuran 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 2-aminomethyl-3-(2-carboxyethyl)-4-carboxymethylfuran
  参考文献：
  名称：

  Synthesis of oxa analogs of porphobilinogen (PBG) as probes for mechanistic studies of PBG deaminase

  摘要：

  Three oxa analogs of porphobilinogen (PBG) 2, 27, and 29 were synthesized from 3-hydroxymethylfuran. The target molecules were prepared by introducing first the beta-acetate sidechain, then constructing propionate side chains on the furan nucleus into which the aminomethyl group was introduced at position 2 via the corresponding aldehyde.

  DOI：

  10.1016/s0040-4020(01)88038-8
• 作为产物：
  描述：

  3-cyanomethyl-4-(2-methoxycarbonylvinyl)furan 在 镍 ammonium hydroxide 、 sodium hydroxide 、 phosphorus (III) oxychloride 、 盐酸羟胺 、 氢气 、 sodium acetate 作用下， 以 甲醇 、 乙醚 、 乙醇 为溶剂， 反应 13.5h， 生成 2-aminomethyl-3-(2-methoxycarbonylethyl)-4-methoxycarbonylmethylfuran
  参考文献：
  名称：

  Synthesis of oxa analogs of porphobilinogen (PBG) as probes for mechanistic studies of PBG deaminase

  摘要：

  Three oxa analogs of porphobilinogen (PBG) 2, 27, and 29 were synthesized from 3-hydroxymethylfuran. The target molecules were prepared by introducing first the beta-acetate sidechain, then constructing propionate side chains on the furan nucleus into which the aminomethyl group was introduced at position 2 via the corresponding aldehyde.

  DOI：

  10.1016/s0040-4020(01)88038-8

文献信息

• Synthesis of oxa analogs of porphobilinogen (PBG) as probes for mechanistic studies of PBG deaminase
  作者：R.E. Danso-Danquah、A.I. Scott、D. Becker

  DOI：10.1016/s0040-4020(01)88038-8

  日期：1993.9

  Three oxa analogs of porphobilinogen (PBG) 2, 27, and 29 were synthesized from 3-hydroxymethylfuran. The target molecules were prepared by introducing first the beta-acetate sidechain, then constructing propionate side chains on the furan nucleus into which the aminomethyl group was introduced at position 2 via the corresponding aldehyde.

表征谱图