3-{4-[2,2-Dichloro-1-(4-chloro-phenyl)-vinyl]-benzoylamino}-propionic acid | 212852-50-1

• 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: 3-{4-[2,2-Dichloro-1-(4-chloro-phenyl)-vinyl]-benzoylamino}-propionic acid
• 英文别名: 3-[[4-[2,2-Dichloro-1-(4-chlorophenyl)ethenyl]benzoyl]amino]propanoic acid
• CAS: 212852-50-1
• 化学式: C₁₈H₁₄Cl₃NO₃
• 分子量: 398.673
• InChiKey: DATUHUVWQAFFLD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-羟基丁二酰亚胺 、 3-{4-[2,2-Dichloro-1-(4-chloro-phenyl)-vinyl]-benzoylamino}-propionic acid 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Development of a Panel of Immunoassays for Monitoring DDT, Its Metabolites, and Analogues in Food and Environmental Matrices

  摘要：

  A panel of antisera was prepared using analogues and derivatives of metabolites of the organochlorine insecticide, p,p'-DDT as haptens. The assays developed exhibited differing cross-reactions for different DDT analogues and metabolites, and the choice of hapten for the detecting enzyme conjugate had almost as much effect on assay specificity and sensitivity as the structure of the hapten used for antibody production. Those assays developed using hapten I, based on esters of bis(p-chlorophenyl)acetic acid (DDA), typically detected DDA with greater sensitivity than p,p'-DDT or p,p'-DDE. The most sensitive assay for p,p'-DDT (lower limit of detection of 0.3 mu g/L) was obtained using an immunogen based on bis(p-chlorophenyl)ethanol (hapten IV), although a significant crossreaction with dichlorodiphenyltrichloroethane (DDD) and DDE was obtained. The most specific assay for p,p'-DDT was obtained using an immunogen (hapten VI) that includes all elements of the DDT structure, except that one of the p-chloro groups was replaced by beta-alanine carboxamide for coupling to carrier proteins. Antibodies based on a similar DDE hapten (V) exhibited specificity for p,p'-DDE over p,p'-DDT. Greater specificity and sensitivity for dicofol were obtained by using an immunogen derived from ester hydrolysis of chlorbenzilate (hapten II). The assays provided methods for detection of p,p'-DDT plus p,p'-DDE either by using the antibody raised to hapten IV with conjugate based on hapten Ib or by using the assay based on hapten V, with treatment of samples with warm alcoholic KOH, which converted DDT to DDE. Some of the immunoassays were applied to the detection of DDT and DDE in water, soil, and selected foods.

  DOI：

  10.1021/jf9802934
• 作为产物：
  描述：

  1-(4-甲基苯基)-2,2,2-三氯乙醇 在 potassium dichromate 、 氢氧化钾 、 sodium hydroxide 、 氯化亚砜 、 硫酸 作用下， 以 乙醇 、 水 、 苯 为溶剂， 反应 3.0h， 生成 3-{4-[2,2-Dichloro-1-(4-chloro-phenyl)-vinyl]-benzoylamino}-propionic acid
  参考文献：
  名称：

  Development of a Panel of Immunoassays for Monitoring DDT, Its Metabolites, and Analogues in Food and Environmental Matrices

  摘要：

  A panel of antisera was prepared using analogues and derivatives of metabolites of the organochlorine insecticide, p,p'-DDT as haptens. The assays developed exhibited differing cross-reactions for different DDT analogues and metabolites, and the choice of hapten for the detecting enzyme conjugate had almost as much effect on assay specificity and sensitivity as the structure of the hapten used for antibody production. Those assays developed using hapten I, based on esters of bis(p-chlorophenyl)acetic acid (DDA), typically detected DDA with greater sensitivity than p,p'-DDT or p,p'-DDE. The most sensitive assay for p,p'-DDT (lower limit of detection of 0.3 mu g/L) was obtained using an immunogen based on bis(p-chlorophenyl)ethanol (hapten IV), although a significant crossreaction with dichlorodiphenyltrichloroethane (DDD) and DDE was obtained. The most specific assay for p,p'-DDT was obtained using an immunogen (hapten VI) that includes all elements of the DDT structure, except that one of the p-chloro groups was replaced by beta-alanine carboxamide for coupling to carrier proteins. Antibodies based on a similar DDE hapten (V) exhibited specificity for p,p'-DDE over p,p'-DDT. Greater specificity and sensitivity for dicofol were obtained by using an immunogen derived from ester hydrolysis of chlorbenzilate (hapten II). The assays provided methods for detection of p,p'-DDT plus p,p'-DDE either by using the antibody raised to hapten IV with conjugate based on hapten Ib or by using the assay based on hapten V, with treatment of samples with warm alcoholic KOH, which converted DDT to DDE. Some of the immunoassays were applied to the detection of DDT and DDE in water, soil, and selected foods.

  DOI：

  10.1021/jf9802934