5-butyl-4-thio-hydantoic acid | 92503-17-8

• 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: 5-butyl-4-thio-hydantoic acid
• 英文别名: N-Butylthiocarbamoyl-glycin；5-Butyl-4-thio-hydantoinsaeure；2-(Butylcarbamothioylamino)acetic acid
• CAS: 92503-17-8
• 化学式: C₇H₁₄N₂O₂S
• 分子量: 190.266
• InChiKey: UDOVOKOBUPRTPG-UHFFFAOYSA-N

物化性质

• 沸点：
  319.6±44.0 °C(Predicted)
• 密度：
  1.179±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  93.4
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-butyl-4-thio-hydantoic acid 在 sodium tetrahydroborate 、 硫酸 、 lithium chloride 、 过氧化苯甲酰 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 乙醇 、 丙酮 为溶剂， 反应 6.5h， 生成 N-丁基咪唑
  参考文献：
  名称：

  氨基酸轻松转化为 1-烷基咪唑-2-硫酮，以及用过氧化苯甲酰将其氧化脱硫为咪唑

  摘要：

  甘氨酸用异硫氰酸酯酰化并缩合为 3-烷基 2-硫代乙内酰脲，再用硼氢化钠和氯化锂的混合物还原并脱水为 1-烷基咪唑-2-硫酮。用过氧化苯甲酰将它们氧化脱硫成咪唑。模型化合物不需要色谱。开发的方法用于将酪氨酸精制为 1,4-二（对甲氧基苄基）咪唑，这是从海绵 Leucetta 合成三种咪唑的常见中间体。

  DOI：

  10.1055/s-2007-983740
• 作为产物：
  描述：

  聚甘氨酸 、 丁基异硫氰酸酯 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 5-butyl-4-thio-hydantoic acid
  参考文献：
  名称：

  氨基酸轻松转化为 1-烷基咪唑-2-硫酮，以及用过氧化苯甲酰将其氧化脱硫为咪唑

  摘要：

  甘氨酸用异硫氰酸酯酰化并缩合为 3-烷基 2-硫代乙内酰脲，再用硼氢化钠和氯化锂的混合物还原并脱水为 1-烷基咪唑-2-硫酮。用过氧化苯甲酰将它们氧化脱硫成咪唑。模型化合物不需要色谱。开发的方法用于将酪氨酸精制为 1,4-二（对甲氧基苄基）咪唑，这是从海绵 Leucetta 合成三种咪唑的常见中间体。

  DOI：

  10.1055/s-2007-983740

文献信息

• Risk-resistance adaptation model for caregivers and their children with sickle cell syndromes
  作者：Ronald T. Brown、Richard Lambert、Danielle Devine、Kevin Baldwin、Robert Casey、Karla Doepke、Carolyn E. Ievers、Lewis Hsu、Iris Buchanan、James Eckman

  DOI：10.1007/bf02895780

  日期：2000.6

  This investigation examined the risk-resistance adaptation model for children with sickle cell disease and their primary caregivers. Participants were 55 children, ranging in age from 5 to 16 years with a mean age of 9 years 2 months, diagnosed with sickle cell disease and their primary caregivers, recruited from a university medical center Measures included adjustment (i.e. primary caregiver and child adjustment), risk factors (i.e. disease and disability, functional independence, and psychosocial stressors), resistance factors (i.e, intrapersonal health locus of control, social-ecological), and stress processing (coping). Primary caregivers' adjustment was associated with developmental coping, R-change(2) = .08, and child adaptation was associated with an internal health locus of control, R-change(2) = .22. An indirect effect of primary caregivers' coping on child adjustment was found through influence on primary caregivers' adjustment, R-change(2) = .11. The findings support research among other chronically ill populations that suggests an association between coping and disease adjustment. The results were interpreted to support the use of theoretically driven models in predicting the adaptation of children with chronic illness and adjustment in their caregivers.
• Facile Conversion of Amino Acids into 1-Alkyl Imidazole-2-thiones, and Their Oxidative Desulfurization to Imidazoles with Benzoyl Peroxide
  作者：Peter Schreiner、Derek Wolfe

  DOI：10.1055/s-2007-983740

  日期：2007.7

  condensed to 3-alkyl 2-thiohydantoins, which were reduced with a mixture of sodium borohydride and lithium chloride and dehydrated to 1-alkyl imidazole-2-thiones. These were oxidatively desulfurized to imidazoles with benzoyl peroxide. No chromatography was required for model compounds. The methods developed were used to elaborate tyrosine to 1,4 -di(p -methoxybenzyl)imidazole, a common intermediate in

  甘氨酸用异硫氰酸酯酰化并缩合为 3-烷基 2-硫代乙内酰脲，再用硼氢化钠和氯化锂的混合物还原并脱水为 1-烷基咪唑-2-硫酮。用过氧化苯甲酰将它们氧化脱硫成咪唑。模型化合物不需要色谱。开发的方法用于将酪氨酸精制为 1,4-二（对甲氧基苄基）咪唑，这是从海绵 Leucetta 合成三种咪唑的常见中间体。