N-β-D-glucopyranosyl-3-chloro-4-methylaniline

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-β-D-glucopyranosyl-3-chloro-4-methylaniline
• 英文别名: (2R,3R,4S,5S,6R)-2-(3-chloro-4-methylanilino)-6-(hydroxymethyl)oxane-3,4,5-triol
• 化学式: C₁₃H₁₈ClNO₅
• 分子量: 303.743
• InChiKey: XVALOVZDXFNJRR-UJPOAAIJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  102
• 氢给体数：
  5
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-β-D-glucopyranosyl-3-chloro-4-methylaniline 在 potassium disulphite 作用下， 生成 5-羟甲基糠醛 、 2,3-二氢-3,5-二羟基-6-甲基-4H-吡喃-4-酮
  参考文献：
  名称：

  Degradation of 3-Chloro-p-toluidine Hydrochloride in Watermelon Bait. Identification and Chemical Characterization of Novel N-Glucoside and Oxopropanimine

  摘要：

  Stability of the avicide 3-chloro-p-toluidine hydrochloride (CPTH) in watermelon bait was assessed. When exposed to light, the presence of CPTH accelerated nonenzymic browning (Maillard) reactions and degradation of the watermelon matrix. The addition of potassium metabisulfite appeared to hinder bait degradation. These experiments resulted in the identification and chemical characterization of two novel CPTH derivatives: N-beta-D-glucopyranosyl-3-chloro-4-methylaniline and N-(3-chloro-4-methylphenyl)-2-oxopropanimine.

  DOI：

  10.1021/jf960044k
• 作为产物：
  描述：

  a-无水葡萄糖酯 、 3-氯-4-甲基苯胺 以 水 为溶剂， 生成 N-β-D-glucopyranosyl-3-chloro-4-methylaniline
  参考文献：
  名称：

  Degradation of 3-Chloro-p-toluidine Hydrochloride in Watermelon Bait. Identification and Chemical Characterization of Novel N-Glucoside and Oxopropanimine

  摘要：

  Stability of the avicide 3-chloro-p-toluidine hydrochloride (CPTH) in watermelon bait was assessed. When exposed to light, the presence of CPTH accelerated nonenzymic browning (Maillard) reactions and degradation of the watermelon matrix. The addition of potassium metabisulfite appeared to hinder bait degradation. These experiments resulted in the identification and chemical characterization of two novel CPTH derivatives: N-beta-D-glucopyranosyl-3-chloro-4-methylaniline and N-(3-chloro-4-methylphenyl)-2-oxopropanimine.

  DOI：

  10.1021/jf960044k

文献信息

• Degradation of 3-Chloro-<i>p</i>-toluidine Hydrochloride in Watermelon Bait. Identification and Chemical Characterization of Novel <i>N</i>-Glucoside and Oxopropanimine
  作者：Jeanne N. Tawara、John J. Johnston、Margaret J. Goodall

  DOI：10.1021/jf960044k

  日期：1996.1.1

  Stability of the avicide 3-chloro-p-toluidine hydrochloride (CPTH) in watermelon bait was assessed. When exposed to light, the presence of CPTH accelerated nonenzymic browning (Maillard) reactions and degradation of the watermelon matrix. The addition of potassium metabisulfite appeared to hinder bait degradation. These experiments resulted in the identification and chemical characterization of two novel CPTH derivatives: N-beta-D-glucopyranosyl-3-chloro-4-methylaniline and N-(3-chloro-4-methylphenyl)-2-oxopropanimine.