N-(4-methylbenzyl)isobutyramide | 284463-79-2

• 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-(4-methylbenzyl)isobutyramide
• 英文别名: Propanamide, 2-methyl-N-[(4-methylphenyl)methyl]-；2-methyl-N-[(4-methylphenyl)methyl]propanamide
• CAS: 284463-79-2
• 化学式: C₁₂H₁₇NO
• mdl: MFCD01214261
• 分子量: 191.273
• InChiKey: RPTXJDSCKSQMIJ-UHFFFAOYSA-N

物化性质

• 沸点：
  362.1±21.0 °C(Predicted)
• 密度：
  0.984±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  异丁腈 、 4-甲基氯苄 在 三氯化铁 作用下， 反应 10.0h， 以82%的产率得到N-(4-methylbenzyl)isobutyramide
  参考文献：
  名称：

  A NEW METHOD FOR THE SYNTHESIS OFN-BENZYLAMIDES

  摘要：

  Benzyl amides are obtained from benzyl chlorides with excellent yields in mild conditions by using hydrated ferric chloride, FeCl3.6H2O, as Lewis acid catalyst and common nitriles as both solvents and reagents.

  DOI：

  10.1081/scc-120006004

文献信息

• [EN] MACROCYCLIC COMPOUNDS AS PROTEASOME INHIBITORS<br/>[FR] COMPOSÉS MACROCYCLIQUES UTILISÉS EN TANT QU'INHIBITEURS DU PROTÉASOME
  申请人：UNIV CORNELL

  公开号：WO2019075259A1

  公开（公告）日：2019-04-18

  The compounds of the present invention are represented by the following compounds having Formula I and Formula (I'): where the substituents R1, R2, R2', R3, R4, R5, R', R", X, Y, and Z are as defined herein and where the substituents R1, R2, R3, R4, R5, R', R", X, Y, and Z are as defined herein. These compounds are used in the treatment of bacterial infections, parasite infections, fungal infections, cancer, immunologic disorders, autoimmune disorders, neurodegenerative diseases and disorders, inflammatory disorders, or muscular dystrophy or for providing immunosuppression for transplanted organs or tissues.

  本发明的化合物由具有以下式I和式(I')的化合物表示，其中取代基R1、R2、R2'、R3、R4、R5、R'、R"、X、Y和Z如本文所定义，取代基R1、R2、R3、R4、R5、R'、R"、X、Y和Z如本文所定义。这些化合物用于治疗细菌感染、寄生虫感染、真菌感染、癌症、免疫紊乱、自身免疫性疾病、神经退行性疾病和紊乱、炎症性疾病，或肌肉萎缩症，或用于为移植的器官或组织提供免疫抑制。
• Exploring a Benzyloxyaniline Linker Utilizing Ceric Ammonium Nitrate (CAN) as a Cleavage Reagent:  Solid-Phase Synthesis of N-Unsubstituted β-Lactams and Secondary Amides
  作者：Kirsteen H. Gordon、Shankar Balasubramanian

  DOI：10.1021/ol006766l

  日期：2001.1.1

  [figure: see text] A novel benzyloxyaniline linker that uses ceric ammonium nitrate (CAN) as a cleavage reagent is described. Its application in the solid-phase synthesis of N-unsubstituted beta-lactams and secondary amides furnishes compounds in moderate to excellent yield (45-91%) and high purity (93-99%).

  [图：见正文]描述了一种使用硝酸铈铵（CAN）作为裂解试剂的新型苄氧基苯胺连接基。它在N-未取代的β-内酰胺和仲酰胺的固相合成中的应用以中等至极好的收率（45-91％）和高纯度（93-99％）提供了化合物。
• Amino acids in electrochemical metal-free benzylic C H amidation
  作者：Sofia Strekalova、Alexander Kononov、Yulia Budnikova

  DOI：10.1016/j.tetlet.2022.153917

  日期：2022.7

  This report describes the mild electrochemical metal-, oxidant-, additive-free site-selective direct CH amidation of benzyl C(sp3)-H bonds in an undivided cell using α-amino acids as a source of an amide bond moiety. Practically significant amides are obtained under electrochemical mild one-pot conditions (without strong external oxidants, at room temperature), with total yields up to 73%. This electrochemical

  本报告描述了使用 α-氨基酸作为酰胺键部分来源的未分裂电池中苄基 C(sp 3 )-H 键的温和电化学金属、氧化剂、无添加剂位点选择性直接 CH酰胺化。在电化学温和的一锅法条件下（没有强外部氧化剂，在室温下）获得了实际显着的酰胺，总收率高达 73%。这种电化学方法具有功能选择性和广泛的具有苄基键和不同氨基酸的底物的特点。
• Alpha helix mimetics and methods relating thereto
  申请人：PRISM BioLab Co., Ltd.

  公开号：US10017522B2

  公开（公告）日：2018-07-10

  Alpha-helix mimetic structures and compounds represented by the formula (I) wherein the general formula and the definition of each symbol are as defined in the specification, a chemical library relating thereto, and methods relating thereto, are disclosed. Applications of these compounds in the treatment of medical conditions, e.g., cancer diseases, fibrotic diseases, and pharmaceutical compositions comprising the mimetics are further disclosed.

  本发明公开了由式（I）表示的α-螺旋拟态结构和化合物（其中通式和各符号的定义如说明书中所定义）、与之相关的化学库以及与之相关的方法。进一步公开了这些化合物在治疗医疗条件（例如癌症疾病、纤维化疾病）中的应用，以及包含该拟态化合物的药物组合物。
• INHIBITORS OF INTEGRIN ALPHA2BETA1 WITH MODIFIED UREA MOIETY
  申请人：DeGrado William F.

  公开号：US20090197861A1

  公开（公告）日：2009-08-06

  Novel compounds inhibiting the integrin α2β1/GPIa-IIa receptor are disclosed. Also disclosed are pharmaceutical compositions containing the compounds, as well as methods of their therapeutic use. The compounds disclosed are useful, inter alia, as inhibitors of integrin α2β1/GPIa-IIa-mediated activity.