1-(2-carboxyethyl) 3-p-anisylthiouree | 5540-68-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-(2-carboxyethyl) 3-p-anisylthiouree
• 英文别名: N-[(4-methoxy-phenyl)-thiocarbamoyl]-β-alanine；1--3-carboxyethyl-thioharnstoff；3-[(4-Methoxyphenyl)carbamothioylamino]propanoic acid
• CAS: 5540-68-1
• 化学式: C₁₁H₁₄N₂O₃S
• 分子量: 254.31
• InChiKey: AKTHINTURVGEBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  103
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(2-carboxyethyl) 3-p-anisylthiouree 、 乙酸酐 在 硫酸 作用下， 反应 1.5h， 生成 3-acetyl-2-(4-methoxy-phenylimino)-[1,3]thiazinan-6-one
  参考文献：
  名称：

  Formation of 3-Substituted 2-Thio-4-oxo-hexahydro-1,3-diazines and 2-Substituted Imino-6-oxo-1,3-thiazanes from 1-Substituted 3-Carboxyethylthioureas and Interconversion of Both Cyclic Systems

  摘要：

  DOI：

  10.1021/jo01029a503
• 作为产物：
  描述：

  4-甲氧基苯基 异硫氰酸酯 、 β-丙氨酸 在 sodium carbonate 作用下， 以 丙酮 为溶剂， 反应 4.0h， 以71%的产率得到1-(2-carboxyethyl) 3-p-anisylthiouree
  参考文献：
  名称：

  Synthèse, activité antiparasitaire et antifongique de thiouréines à motif aminoacide

  摘要：

  Sixteen compounds, close to aryl or aralkylthioureines, with a beta-alanine or gamma-aminobutyric acid chain, were synthesized for in vitro screening towards 3 types of nematodes, 8 classes of opportunist germs and 34 classes of yeasts. Their anthelminthic activity was very weak, but on the other hand, 7 compounds were effective against yeasts and/or opportunist germs, with an MIC < 50-mu-g/ml.

  DOI：

  10.1016/0223-5234(91)90122-4

文献信息

• Synthèse, activité antiparasitaire et antifongique de thiouréines à motif aminoacide
  作者：R Caujolle、M Payard、PR Loiseau、H Amarouch、MD Linas、JP Séguéla、C Bories、PM Loiseau、P Gayral

  DOI：10.1016/0223-5234(91)90122-4

  日期：1991.10

  Sixteen compounds, close to aryl or aralkylthioureines, with a beta-alanine or gamma-aminobutyric acid chain, were synthesized for in vitro screening towards 3 types of nematodes, 8 classes of opportunist germs and 34 classes of yeasts. Their anthelminthic activity was very weak, but on the other hand, 7 compounds were effective against yeasts and/or opportunist germs, with an MIC < 50-mu-g/ml.
• Formation of 3-Substituted 2-Thio-4-oxo-hexahydro-1,3-diazines and 2-Substituted Imino-6-oxo-1,3-thiazanes from 1-Substituted 3-Carboxyethylthioureas and Interconversion of Both Cyclic Systems
  作者：A. Prosen、B. Stanovnik、M. Tišler

  DOI：10.1021/jo01029a503

  日期：1964.6