N-(4-(叔丁基)苄基)乙酰胺 | 942433-35-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(4-(叔丁基)苄基)乙酰胺
• 英文名称: N-(4-(tert-butyl)benzyl)acetamide
• 英文别名: N-[(4-tert-butylphenyl)methyl]acetamide
• CAS: 942433-35-4
• 化学式: C₁₃H₁₉NO
• mdl: MFCD24390500
• 分子量: 205.3
• InChiKey: DFENQURRLUFKQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-(4-(叔丁基)苄基)乙酰胺 在 2-氯蒽醌 、 氧气 作用下， 以 乙酸乙酯 为溶剂， 反应 20.0h， 以82%的产率得到N-acetyl-4-(tert-butyl) benzamide
  参考文献：
  名称：

  2-Chloroanthraquinone-catalyzed aerobic photo-oxidative synthesis of diacylamines from benzylamides

  摘要：

  In this Letter, we report the aerobic photo-oxidative synthesis of diacylamines from benzylamides in the presence of molecular oxygen and catalytic amounts of 2-chloroanthraquinones under visible light irradiation from a fluorescent lamp. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.03.123
• 作为产物：
  描述：

  乙酰胺 、 对叔丁基苯甲醛 在 dicobalt octacarbonyl 、 氢气 、 三(对甲苯基)锑 作用下， 以 四氢呋喃 为溶剂， 120.0 ℃ 、4.48 MPa 条件下， 反应 24.0h， 以91%的产率得到N-(4-(叔丁基)苄基)乙酰胺
  参考文献：
  名称：

  One-pot stibine modified Co2(CO)8 catalyzed reductive N-alkylation of primary amides with carbonyl compounds

  摘要：

  A one-pot stibine modified Co-2(CO)(8) homogeneous catalytic reductive N-alkylation of primary amides using aldehydes/ketones as alkylating agents, is reported. Good to excellent yields of a wide range of secondary amides are obtained (up to 97%) under relative mild conditions. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.01.038

文献信息

• Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20150231142A1

  公开（公告）日：2015-08-20

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及含有上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES
  申请人：Van Goor Fredrick F.

  公开号：US20110098311A1

  公开（公告）日：2011-04-28

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及包含上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• Simple, High Yield Preparation of<i>N</i>-Benzylacetamides by Lewis Acid-Catalyseed Reaction of Benzyl Chlorides or Benzyl Methyl Ethers with Acetonitrile
  作者：Mesut Kacan、Alexander McKillop

  DOI：10.1080/00397919308018613

  日期：1993.8

  Abstract Reaction of either benzyl chlorides or benzyl methyl ethers with hydrated ferric chloride in acetonitrile results in smooth Ritter reaction and formation of N-benzylacetamides in excellent yield.

  摘要 苄基氯或苄基甲基醚与水合氯化铁在乙腈中的反应会导致平稳的 Ritter 反应并以优异的产率形成 N-苄基乙酰胺。
• A General Catalytic Method for Highly Cost‐ and Atom‐Efficient Nucleophilic Substitutions
  作者：Peter H. Huy、Isabel Filbrich

  DOI：10.1002/chem.201800588

  日期：2018.5.23

  A general formamide‐catalyzed protocol for the efficient transformation of alcohols into alkyl chlorides, which is promoted by substoichiometric amounts (down to 34 mol %) of inexpensive trichlorotriazine (TCT), is introduced. This is the first example of a TCT‐mediated dihydroxychlorination of an OH‐containing substrate (e.g., alcohols and carboxylic acids) in which all three chlorine atoms of TCT

  介绍了一种一般的甲酰胺催化方案，用于将醇有效转化为烷基氯，这是通过亚化学计量的量（低至34 mol％）的廉价三氯三嗪（TCT）促进的。这是TCT介导的含OH底物（例如，醇和羧酸）的二羟基氯化的第一个例子，其中TCT的所有三个氯原子都转移到了起始原料中。因此，增强的原子经济性可显着改善废物平衡（电子因子低至4），成本效率和可扩展性（> 50 g）。此外，当前的程序以高水平的官能团相容性和立体选择性为特色，因为仅释放弱酸性氰尿酸作为排他性副产物。最后，一锅法制备胺N 2反演，证明了所提出方法的高实用价值。
• PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF
  申请人：BENAZET ALEXANDRE

  公开号：US20130079337A1

  公开（公告）日：2013-03-28

  The invention relates to compounds corresponding to formula (I) in which R1, R2 and R3 are as defined in Claim 1 , and also to the process for preparing them and to their therapeutic use.

  这项发明涉及与式（I）相对应的化合物，其中R1、R2和R3如权利要求1中所定义的，并且还涉及制备它们的过程以及它们的治疗用途。