N-acetyl-2-methylpropanamide | 52220-93-6

• 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: N-acetyl-2-methylpropanamide
• 英文别名: Acetylisobutylimide；acetyl-isobutyryl-amine
• CAS: 52220-93-6
• 化学式: C₆H₁₁NO₂
• 分子量: 129.159
• InChiKey: NCMCUJZENIYVHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-acetyl-2-methylpropanamide 生成 乙烯酮 、 异丁酰胺
  参考文献：
  名称：

  The nature of the transition state in amides pyrolysis. The rates of pyrolysis ofN-benzoyl andN-acetylpropanamide,N-benzoyl andN-acetyl-2-methylpropanamide, andN-thioacetylpropanamide

  摘要：

  AbstractThe rates of gas‐phase elimination reactions of N‐benzoyl and N‐acetyl‐propanamide and N‐benzoyl and N‐acetyl‐2‐methylpropanamide are measured and discussed. They undergo unimolecular first‐order elimination reactions. The reactivities of N‐benzoylamides have been compared with each other and with those of N‐acetylamides. The kinetic data together with the product analysis reveals that, the statistical factor of the availability of β‐hydrogen atoms for elimination as well as steric factor are obscured by polar factor in gas‐phase elimination reactions of N‐benzoylamides while the statistical factor rather than electronic effect operates in each of N‐acetylamides. © 1995 John Wiley & Sons, Inc.

  DOI：

  10.1002/kin.550270102
• 作为产物：
  描述：

  N-乙酰基-2-甲基-1-丙胺 在 双氧水 、 溴 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 3.0h， 以63%的产率得到异丁酸
  参考文献：
  名称：

  溴催化 H2O2 自由基氧化伯胺和仲胺中的乙酰胺

  摘要：

  基于溴催化过氧化氢在两相系统中氧化的新方法通过相应的乙酰胺将烷基胺简单而廉价地转化为羰基衍生物（醛、酮、羧酸、酰亚胺、内酰胺）。

  DOI：

  10.1039/b008965f

文献信息

• APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES
  申请人：AbbVie Inc.

  公开号：US20130096121A1

  公开（公告）日：2013-04-18

  Disclosed are compounds which inhibit the activity of anti-apoptotic Bc1-xL proteins, compositions containing the compounds and methods of treating diseases during which is expressed anti-apoptotic Bc1-xL protein.

  揭示了抑制抗凋亡Bc1-xL蛋白活性的化合物，含有这些化合物的组合物以及治疗在其中表达抗凋亡Bc1-xL蛋白的疾病的方法。
• NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS
  申请人：Merck Patent GmbH

  公开号：US20160016951A1

  公开（公告）日：2016-01-21

  The present invention relates to naphthyridine and isoquinoline compounds, and pharmaceutically acceptable compositions thereof, useful as inhibitors of CDK8/19, and for the treatment of CDK8/19-related disorders.

  本发明涉及萘啶和异喹啉化合物，以及由此组成的药物可接受的组合物，作为CDK8/19的抑制剂，用于治疗与CDK8/19相关疾病。
• APOPTOSIS-INDUCED AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES
  申请人：AbbVie Inc.

  公开号：US20130096120A1

  公开（公告）日：2013-04-18

  Disclosed are compounds which inhibit the activity of anti-apoptotic Bcl-xL proteins, compositions containing the compounds and methods of treating diseases during which is expressed anti-apoptotic Bcl-xL protein.

  揭示了抑制抗凋亡Bcl-xL蛋白活性的化合物，含有这些化合物的组合物以及治疗在其中表达抗凋亡Bcl-xL蛋白的疾病的方法。
• [EN] THIENYLPYRI(MI)DINYLPYRAZOLE<br/>[FR] THIÉNYLPYRI(MI)DINYLPYRAZOLE
  申请人：BAYER IP GMBH

  公开号：WO2012175513A1

  公开（公告）日：2012-12-27

  Thienylpyri(mi)dinylpyrazole of the formula (I) in which R1 to R8 and X1 have the meanings given in the description, and agrochemically active salts, to their use and to methods and compositions for controlling phytopathogenic harmful fungi in and/or on plants or in and/or on seed of plants and for reducing mycotoxins in plants and parts of the plants, to processes for preparing such compounds and compositions and treated seed and also to their use for controlling phytopathogenic harmful fungi in agriculture, horticulture, forestry, in animal husbandry, in the protection of materials, in the domestic and hygiene field and for the reduction of mycotoxins in plants and parts of the plants

  化学式为（I）的噻吩基吡啶基吡唑，其中R1至R8和X1的含义如描述中所示，以及农用活性盐，其用途以及用于控制植物和/或植物种子中的植物病原真菌的方法和组合物，以及减少植物和植物部分中的霉菌毒素，用于制备此类化合物和组合物以及处理后的种子的方法，以及其在农业、园艺、林业、畜牧业、材料保护、家庭卫生领域中用于控制植物病原真菌和减少植物和植物部分中的霉菌毒素。
• HETEROCYCLIC-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS
  申请人：Bristol-Myers Squibb Company

  公开号：US20150011532A1

  公开（公告）日：2015-01-08

  Compounds having the following formula: wherein A is, or; and X is N or C—R 7 , or an enantiomer, diastereomer or a pharmaceutically-acceptable salt thereof, are useful as kinase modulators, including IRAK-4 modulation.

  具有以下式子的化合物：其中A是或；而X是N或C—R7，或其对映异构体、顺反异构体或药学上可接受的盐，可用作激酶调节剂，包括IRAK-4调节。