carbamate de 2,6-ditertiobutyl 4-methylphenyle

• 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: carbamate de 2,6-ditertiobutyl 4-methylphenyle
• 英文别名: 2,6-di-tert-butyl-4-methylphenyl carbamate；N-demethyl-terbutol；2,6-Di-t-butyl-4-methylphenyl carbamate；(2,6-ditert-butyl-4-methylphenyl) carbamate
• 化学式: C₁₆H₂₅NO₂
• 分子量: 263.38
• InChiKey: KNAHODXCDJEAJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,6-二叔丁基-4-甲基苯酚 在 ammonium hydroxide 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 carbamate de 2,6-ditertiobutyl 4-methylphenyle
  参考文献：
  名称：

  3,5-二叔丁基-4-甲基苯基N-甲基氨基甲酸酯Terbucarb在分离的大鼠肝细胞上的代谢。

  摘要：

  DOI：

  10.1007/bf00206107

文献信息

• Identification of degradation products of terbutol in environmental water from golf courses
  作者：Toshinari Suzuki、Kumiko Yaguchi、Kazuo Ohnishi、Tetsuya Suga

  DOI：10.1021/jf00054a057

  日期：1995.6

  Degradation products of terbutol (2,6-di-tert-butyl-4-methylphenyl N-methylcarbamate) in drainage and ground mater from golf courses, on which terbutol had been applied as a herbicide, were identified by capillary GC/MS and reversed-phase HPLC. Terbutol and 4-carboxy-, N-demethyl-, and 4-carboxy-N-demethylterbutol were detected in all water samples at concentrations of parts per billion levels. In addition, 4-(hydroxymethyl)- and 4-formylterbutol, 2,6-di-tert-butyl-4-methylphenol (BHT), and 4-(hydroxymethyl)-, 4-formyl-, and 4-carboxy-BHT were observed in some water samples at concentrations of parts per thousand levels. These results demonstrated that terbutol applied on golf courses was mainly degraded by N-demethylation, oxidation of the 4-methyl group, and hydrolysis of the carbamate ester linkage.
• Hedayatullah, Mir; Hugueny, Jean Claude, Phosphorus and Sulfur and the Related Elements, 1984, vol. 19, p. 167 - 172
  作者：Hedayatullah, Mir、Hugueny, Jean Claude

  DOI：——

  日期：——
• MORIMURA SYOJI, NIXON KAGAKU KAJSI, NIRRON KAGAKU KAISNI, J. CHEM. SOS. JAR., CHEM. AND I+
  作者：MORIMURA SYOJI

  DOI：——

  日期：——
• Metabolism of 3,5-di-t-butyl-4-methylphenyl N-methylcarbamate, Terbucarb, on isolated rat hepatocytes
  作者：T. Suzuki、K. Yaguchi、Y. Nakagawa、T. Suga

  DOI：10.1007/bf00206107

  日期：1995.5