N-(butylcarbamoyl)benzamide | 3576-28-1

• 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-(butylcarbamoyl)benzamide
• 英文别名: 3-Benzoyl-1-n-butyl-harnstoff；1-Butyl-3-benzoyl-harnstoff；3-Butyl-1-benzoyl-harnstoff；N-benzoyl-N'-butyl-urea；N-Benzoyl-N'-butyl-harnstoff
• CAS: 3576-28-1
• 化学式: C₁₂H₁₆N₂O₂
• mdl: MFCD27949878
• 分子量: 220.271
• InChiKey: HFEULIZILHMAKP-UHFFFAOYSA-N

物化性质

• 熔点：
  92 °C
• 密度：
  1.091±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-丁基脲 、 苯甲酰氯 在 吡啶 作用下， 生成 N-(butylcarbamoyl)benzamide
  参考文献：
  名称：

  Some 1–Alkyl-3-Aroyl Ureas

  摘要：

  已合成一些1-烷基-3-芳酰脲和几种相关类型，用于作为抗癫痫药物进行检验。发现最大活性的是3-苯甲酰-1-正丁基脲和1-正丁基-3-邻甲基苯甲酰脲。

  DOI：

  10.1111/j.2042-7158.1961.tb11893.x

文献信息

• Pd-Catalyzed Carbonylation of Acyl Azides
  作者：Zongyang Li、Shiyang Xu、Baoliang Huang、Chenhui Yuan、Wenxu Chang、Bin Fu、Lei Jiao、Peng Wang、Zhenhua Zhang

  DOI：10.1021/acs.joc.9b01048

  日期：2019.8.2

  provides facile access to acyl ureas. In addition, a mechanistic study was carried out by both experiment and DFT calculation. Control experiments and kinetic study revealed that the real active palladium species were Pd(0). The result of kinetic study suggested that palladium catalyst, azide, and CO were all involved in the turnover-limiting step except for amine. Further DFT study suggested that an

  近年来，已广泛开发了Pd催化的叠氮化物与CO反应生成异氰酸酯中间体的方法。然而，尚未报道敏感的酰基叠氮化物的催化羰基化。在本文中，我们报道了酰基叠氮化物的简单Pd催化羰基化反应，具有广泛的底物范围，高效率以及在温和条件下的简单操作，可轻松获得酰基脲。此外，还通过实验和DFT计算进行了机理研究。对照实验和动力学研究表明，真正的活性钯物质为Pd（0）。动力学研究的结果表明，除胺外，钯催化剂，叠氮化物和一氧化碳都参与了营业额限制步骤。
• Hoekfelt,B.; Joensson,A., Journal of medicinal and pharmaceutical chemistry, 1962, vol. 5, p. 240 - 246
  作者：Hoekfelt,B.、Joensson,A.

  DOI：——

  日期：——
• 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.

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