N-benzoyl-N'-n-butylthiourea | 7150-47-2

• 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: N-benzoyl-N'-n-butylthiourea
• 英文别名: N-butyl-N'-benzoylthiourea；N-(butylcarbamothioyl)benzamide；N-benzoyl-N'-butyl-thiourea；N-Benzoyl-N'-butyl-thioharnstoff
• CAS: 7150-47-2
• 化学式: C₁₂H₁₆N₂OS
• 分子量: 236.338
• InChiKey: YJBJLELTANNVNB-UHFFFAOYSA-N

物化性质

• 熔点：
  51-52 °C(Solv: ligroine (8032-32-4))
• 密度：
  1.127±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  73.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-benzoyl-N'-n-butylthiourea 在 肼 作用下， 反应 0.33h， 以99%的产率得到正丁基硫脲
  参考文献：
  名称：

  一种方便高效的合成单和N，N-二取代的硫脲的方法

  摘要：

  开发了一种方便的方法，该方法在无溶剂条件下通过水合肼将N-取代的和N，N-二取代的-N'-苯甲酰基硫脲进行苯甲酰化来合成单和N，N-二取代的硫脲。混合N-取代的-N'-苯甲酰基硫脲和水合肼，并在室温下在无溶剂的情况下搅拌，以高收率得到相应的N-取代的硫脲。

  DOI：

  10.1016/j.tetlet.2005.06.135
• 作为产物：
  描述：

  苯甲酰氯 以 乙酸乙酯 为溶剂， 反应 4.0h， 生成 N-benzoyl-N'-n-butylthiourea
  参考文献：
  名称：

  Iodine-Mediated Multi-Component Reactions: Readily Access to Tetrazoles and Guanidines

  摘要：

  摘要：苯甲酰氯与胺的一锅式顺序反应，随后在碱性条件下处理分子I2试剂，以中等至优良的产率提供苯甲酰四唑和胍胺。这种一锅式合成具有多个优点，如温和的反应条件、短的反应时间、方便的处理、高产率，使用廉价且易获得的试剂分子碘。此外，功能团容忍性已经得到探索。

  DOI：

  10.2174/1570178617999200728212116

文献信息

• Benzoylthioureas: Design, Synthesis and Antimycobacterial Evaluation
  作者：Tiago O. Brito、Lethícia O. Abreu、Karen M. Gomes、Maria C.S. Lourenço、Patricia M.L. Pereira、Sueli F. Yamada-Ogatta、Ângelo de Fàtima、Cesar A. Tisher、Fernando Macedo Jr、Marcelle L.F. Bispo

  DOI：10.2174/1573406415666181208110753

  日期：2020.1.16

  chlorine and t-Bu group at the para-position in benzene ring plays an important role in the antitubercular activity of Series A. These substituents were fixed at this position in benzene ring and other groups such as Cl, Br, NO2 and OMe were introduced in the benzoyl ring, leading to the derivatives of Series B. In general, Series B was less cytotoxic than Series A, which indicates that the presence

  背景技术迫切需要治疗结核病（TB）的新药物和策略。在这种情况下，硫脲衍生物具有广泛的生物活性，包括抗结核病。这个事实可以用一种古老的抗结核病药物异氧基的结构来说明，该结构具有硫脲作为药效基团。目的本研究的目的是描述59种苯甲酰硫脲衍生物的合成及其抗分枝杆菌活性。方法已合成苯甲酰硫脲衍生物，并使用MABA分析评估了其对结核分枝杆菌的活性。之后，已经对该系列化合物进行了结构-活性关系研究。结果与讨论19种化合物的抗分枝杆菌活性在423.1至9.6μM之间。一般来说，我们观察到，苯环对位的溴，氯和t-Bu基团的存在对A系列抗结核活性具有重要作用。这些取代基固定在苯环和其他基团（如Cl）上的该位置，Br，NO2和OMe引入苯甲酰基环中，从而生成B系列衍生物。通常，B系列的细胞毒性低于A系列，这表明在苯甲酰基环上存在取代基有助于两者的改进。抗分枝杆菌活性和毒性概况。结论化合物4c被认为是一个很好的原
• Design, syntheses and evaluation of benzoylthioureas as urease inhibitors of agricultural interest
  作者：Tiago O. Brito、Aline X. Souza、Yane C. C. Mota、Vinicius S. S. Morais、Leandro T. de Souza、Ângelo de Fátima、Fernando Macedo、Luzia V. Modolo

  DOI：10.1039/c5ra07886e

  日期：——

  Urea is one of the most used nitrogen fertilizers worldwide.

  尿素是全球使用最广泛的氮肥之一。
• 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.
• In vitro evaluation of antitrypanosomal activity and molecular docking of benzoylthioureas
  作者：Patricia M.L. Pereira、Priscila G. Camargo、Bruna T. Fernandes、Luiz A.P. Flores-Junior、Luiza R.S. Dias、Camilo H.S. Lima、Phileno Pinge-Filho、Lucy M.Y. Lioni、Sueli F. Yamada-Ogatta、Marcelle L.F. Bispo、Fernando Macedo Jr

  DOI：10.1016/j.parint.2020.102225

  日期：2021.2
• Rapid anxiety assessment in medical patients: Evidence for the validity of verbal anxiety ratings
  作者：Eric G. Benotsch、Susan K. Lutgendorf、David Watson、Lauri J. Fick、Elvira V. Lang

  DOI：10.1007/bf02895114

  日期：2000.9

  Rapid assessment of patient anxiety is necessary to insure quality care. A number of self-report measures provide valid and reliable measures of anxiety These measures can be time-consuming to complete, however and may be burdensome to medical patients who are in pain or acute anxiety states. Many medical procedures are performed in conditions in which written measures are cumbersome (e.g, patient in supine position), and scoring and interpretation of written measures in a busy clinical setting may be difficult for medical personnel. The present study provides validity data for a verbally administered (0-10) anxiety rating. One hundred and ninety-eight adult interventional radiology patients completed standard measures assessing state anxiety, trait Negative and Positive Affect and the dimensions of the five-factor model of personality. Verbal anxiety rating was highly correlated with Spielberger's State Anxiety Inventory, showed moderate correlations to the related constructs of neuroticism and trait Negative Affect, and was largely unrelated to theoretically distinct constructs. Verbal anxiety ratings made prior to the invasive procedure also predicted pain and anxiety during the procedure. The verbal anxiety rating also demonstrated sensitivity to changes in anxiety that occurred as a result of changes in situation. Findings support the convergent and discriminant validity of verbal anxiety ratings.