2-acetyl-neopentylpyrrole | 114853-23-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-acetyl-neopentylpyrrole
• 英文别名: 1-[1-(2,2-Dimethylpropyl)pyrrol-2-yl]ethanone
• CAS: 114853-23-5
• 化学式: C₁₁H₁₇NO
• 分子量: 179.262
• InChiKey: AYZFGIWMZHWUPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  22
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  a-无水葡萄糖酯 、 特戊胺 生成 2,3-二氢-3,5-二羟基-6-甲基-4H-吡喃-4-酮 、 2-acetyl-neopentylpyrrole 、 2-(2-hydroxyacetyl)-1-neopentylpyrrole 、 5-hydroxymethyl-1-neopentylpyrrole-2-carbaldehyde
  参考文献：
  名称：

  Detection of d-glucose-derived pyrrole compounds during maillard reaction under physiological conditions

  摘要：

  5-Hydroxyl-1-neopentylpyrrole-2-carbaldehyde, 2-(2-hydroxyacetyl)-1-neopentylpyrrole, in decreasing order or abundance, have been isolated and the structures characterized. These compounds were obtained from the reaction of a mixture of D-glucose and neopentylamine under physiological conditions of pH and temperature. In addition, 4H-dihydropyran-4-one, a known intermediate product of the Maillard reaction, was detected. The neopentylamine adducts were already detectable after one week of incubation, but rapid acid and alkaline degradation explains the lack of detection in body proteins.

  DOI：

  10.1016/0008-6215(87)80280-x

文献信息

• Detection of d-glucose-derived pyrrole compounds during maillard reaction under physiological conditions
  作者：F. George Njoroge、Lawrence M. Sayre、Vincent M. Monnier

  DOI：10.1016/0008-6215(87)80280-x

  日期：1987.9

  5-Hydroxyl-1-neopentylpyrrole-2-carbaldehyde, 2-(2-hydroxyacetyl)-1-neopentylpyrrole, in decreasing order or abundance, have been isolated and the structures characterized. These compounds were obtained from the reaction of a mixture of D-glucose and neopentylamine under physiological conditions of pH and temperature. In addition, 4H-dihydropyran-4-one, a known intermediate product of the Maillard reaction, was detected. The neopentylamine adducts were already detectable after one week of incubation, but rapid acid and alkaline degradation explains the lack of detection in body proteins.