4-[(2,3,5,6-tetrachloro-4-hydroxyphenoxy)acetyl]aminophenylacetic acid | 329785-21-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[(2,3,5,6-tetrachloro-4-hydroxyphenoxy)acetyl]aminophenylacetic acid
• CAS: 329785-21-9
• 化学式: C₁₆H₁₁Cl₄NO₅
• 分子量: 439.079
• InChiKey: XWVUFDPGBIUTKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.65
• 重原子数：
  26.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  95.86
• 氢给体数：
  3.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N-羟基丁二酰亚胺 、 4-[(2,3,5,6-tetrachloro-4-hydroxyphenoxy)acetyl]aminophenylacetic acid 在 N,N'-二环己基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Preparation of Pentachlorophenol Derivatives and Development of a Microparticle-Based On-Site Immunoassay for the Detection of PCP in Soil Samples

  摘要：

  Pentachlorophenol (PCP) is used as a herbicide in agriculture and as an insecticide for termite control. Because of the apparent hazard associated with its usage, there is a need for an efficient and economic on-site screening method. A 5-min on-site test has been developed for the detection of PCP based on the OnTrak format, a successful Roche on-site test format for drugs of abuse, utilizing the principle of latex agglutination immunoassay. The test detects 1 ppm of PCP in soil samples.

  DOI：

  10.1021/jf0010578
• 作为产物：
  描述：

  (2,3,5,6-tetrachloro-4-hydroxyphenoxy)acetic acid 在 lithium hydroxide 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三乙胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 46.0h， 生成 4-[(2,3,5,6-tetrachloro-4-hydroxyphenoxy)acetyl]aminophenylacetic acid
  参考文献：
  名称：

  Preparation of Pentachlorophenol Derivatives and Development of a Microparticle-Based On-Site Immunoassay for the Detection of PCP in Soil Samples

  摘要：

  Pentachlorophenol (PCP) is used as a herbicide in agriculture and as an insecticide for termite control. Because of the apparent hazard associated with its usage, there is a need for an efficient and economic on-site screening method. A 5-min on-site test has been developed for the detection of PCP based on the OnTrak format, a successful Roche on-site test format for drugs of abuse, utilizing the principle of latex agglutination immunoassay. The test detects 1 ppm of PCP in soil samples.

  DOI：

  10.1021/jf0010578