5-(2-hydroxyethyl)-5-(3-methylbutyl)-2-thiobarbituric acid | 172797-55-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-(2-hydroxyethyl)-5-(3-methylbutyl)-2-thiobarbituric acid
• 英文别名: 5-(2-hydroxy-ethyl)-5-isopentyl-2-thio-barbituric acid；5-(2-Hydroxy-aethyl)-5-isopentyl-2-thio-barbitursaeure；5-(2-hydroxyethyl)-5-isopentyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione；5-(2-hydroxyethyl)-5-(3-methylbutyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
• CAS: 172797-55-6
• 化学式: C₁₁H₁₈N₂O₃S
• 分子量: 258.342
• InChiKey: ODBYBGYTXPHFFZ-UHFFFAOYSA-N

物化性质

• 熔点：
  179.3 °C
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  111
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-(2-hydroxyethyl)-5-(3-methylbutyl)-2-thiobarbituric acid 在 水 作用下， 以 氯仿 为溶剂， 反应 2.0h， 以22%的产率得到3-thioallophanyl-3-(3-methylbutyl)-2-oxotetrahydrofurane
  参考文献：
  名称：

  Competition between two metabolic pathways: oxidation and desulfuration in the thiobarbiturate series

  摘要：

  In order to study the competition between hepatic hydroxylation and desulfuration in the thiobarbiturate series, two compounds bearing a branched side chain with a tertiary carbon atom in position omega-1 were administered to rats over about one week, Urine and faeces were collected and extracted. The metabolites isolated were identified. It was shown that desulfuration was not the major metabolic pathway, and that, when it took place, it remained a minor process and was accompanied by gamma-hydroxylation into a tertiary alcohol.

  DOI：

  10.1016/0223-5234(96)88296-1
• 作为产物：
  描述：

  (2-bromo-ethyl)-isopentyl-malonic acid diethyl ester 在 sodium ethanolate 作用下， 生成 5-(2-hydroxyethyl)-5-(3-methylbutyl)-2-thiobarbituric acid
  参考文献：
  名称：

  5-Alkyl-5-β-hydroxyethyl Derivatives of 2-Thiobarbituric Acid¹

  摘要：

  DOI：

  10.1021/ja01224a008

文献信息

• Corrosion inhibiting formulations and uses thereof
  申请人：King Fahd University of Petroleum and Minerals

  公开号：US10844282B2

  公开（公告）日：2020-11-24

  Corrosion inhibiting formulations including a substituted benzimidazole, a mercaptocarboxylic acid, a 2-thioxodihydropyrimidine-dione, a sulfhydryl alcohol, a surfactant, and a solvent. Methods for preventing, inhibiting, or reducing metal (e.g. carbon steel) corrosion utilizing these formulations are described. The formulations are effective against corrosion of metallic substrates in sweet (i.e. CO2), sour (i.e. H2S), and/or high salinity environments commonly found in petroleum industry.

  缓蚀制剂包括取代的苯并咪唑、巯基羧酸、2-硫酮二氢嘧啶二酮、巯基醇、表面活性剂和溶剂。介绍了利用这些制剂防止、抑制或减少金属（如碳钢）腐蚀的方法。这些制剂可有效防止金属基体在石油工业中常见的甜（如 CO2）、酸（如 H2S）和/或高盐度环境中的腐蚀。
• CORROSION INHIBITING FORMULATIONS AND USES THEREOF
  申请人：King Fahd University of Petroleum and Minerals

  公开号：US20200291297A1

  公开（公告）日：2020-09-17

  Corrosion inhibiting formulations including a substituted benzimidazole, a mercaptocarboxylic acid, a 2-thioxodihydropyrimidine-dione, a sulfhydryl alcohol, a surfactant, and a solvent. Methods for preventing, inhibiting, or reducing metal (e.g. carbon steel) corrosion utilizing these formulations are described. The formulations are effective against corrosion of metallic substrates in sweet (i.e. CO 2 ), sour (i.e. H 2 S), and/or high salinity environments commonly found in petroleum industry.
• 5-Alkyl-5-β-hydroxyethyl Derivatives of 2-Thiobarbituric Acid¹
  作者：Glenn S. Skinner、John Mitchell

  DOI：10.1021/ja01224a008

  日期：1945.8
• Competition between two metabolic pathways: oxidation and desulfuration in the thiobarbiturate series
  作者：A Yebga、S Ménager、P Vérité、C Combet Farnoux、O Lafont

  DOI：10.1016/0223-5234(96)88296-1

  日期：1995.1

  In order to study the competition between hepatic hydroxylation and desulfuration in the thiobarbiturate series, two compounds bearing a branched side chain with a tertiary carbon atom in position omega-1 were administered to rats over about one week, Urine and faeces were collected and extracted. The metabolites isolated were identified. It was shown that desulfuration was not the major metabolic pathway, and that, when it took place, it remained a minor process and was accompanied by gamma-hydroxylation into a tertiary alcohol.