[1-(4-Chloro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-ylamino]-acetic acid | 569351-67-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [1-(4-Chloro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-ylamino]-acetic acid
• 英文别名: N-[1-(4-Chlorophenyl)-5-oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl]glycine；2-[[1-(4-chlorophenyl)-5-oxo-4H-1,2,4-triazol-3-yl]amino]acetic acid
• CAS: 569351-67-3
• 化学式: C₁₀H₉ClN₄O₃
• 分子量: 268.659
• InChiKey: JRPIFGCXVXNJPM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  94
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  [1-(4-Chloro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-ylamino]-acetic acid ethyl ester 在 盐酸 、 氢氧化钾 作用下， 以 甲醇 为溶剂， 生成 [1-(4-Chloro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-ylamino]-acetic acid
  参考文献：
  名称：

  Purification and characterization of an alkaline lipase from a newly isolated Pseudomonas mendocina PK-12CS and chemoselective hydrolysis of fatty acid ester††CDRI Communication No. 6212.

  摘要：

  Lipase isolated from a soil isolate, Pseudomonas mendocina (PK-12CS) chemo selectively hydrolyzed the fatty ester group in presence of arbamate of compound 5-amino-2,4-dihydro-3H-1,2,4-triazole-3 ones, a class of compounds which are attractive starting materials for the synthesis of triazole annealed heterocycles. The enzymatic method provides an easy access to the synthesis of N-substituted glycine. Under optimized fermentation conditions the culture produced 3510 Lipolytic Units/mL of cell free fermentation broth in 20 h of fermentation. The purified lipase exhibited molecular mass of 80 kDa on SDS polyacrylamide gel electrophoresis. The enzyme was stable at room temperature for more than a month and expressed maximum activity at 37degreesC and pH 8. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00516-3