4-methoxy-N-methyl-N-n-butylaniline | 56269-47-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-methoxy-N-methyl-N-n-butylaniline
• 英文别名: N-butyl-N-methyl-4-methoxyaniline；N-Butyl-N-methyl-p-anisidin；Benzenamine, N-butyl-4-methoxy-N-methyl-；N-butyl-4-methoxy-N-methylaniline
• CAS: 56269-47-7
• 化学式: C₁₂H₁₉NO
• 分子量: 193.289
• InChiKey: VPAHJNHEQJPBCJ-UHFFFAOYSA-N

物化性质

• 沸点：
  135-140 °C(Press: 9 Torr)
• 密度：
  0.961±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-methoxy-N-methyl-N-n-butylaniline 在 ammonium cerium(IV) nitrate 、 硫酸 、 尿素 、 thallium(III) nitrate 作用下， 以 乙腈 为溶剂， 反应 20.0h， 生成 N-methyl-4-methoxy-2,6-dinitroaniline
  参考文献：
  名称：

  Galliani, Guido; Rindone, Bruno, Journal of the Chemical Society. Perkin transactions I, 1980, p. 828 - 832

  摘要：

  DOI：
• 作为产物：
  描述：

  甲基丁胺 、 4-溴苯甲醚 在 、 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 反应 22.0h， 生成 4-methoxy-N-methyl-N-n-butylaniline
  参考文献：
  名称：

  Efficient catalytic aryl amination of bromoarenes using 3-iminophosphine palladium(II) chloride

  摘要：

  While pursuing the development of new hydroamination catalysts, a 3-iminophosphine palladium(II) chloride complex [(3IP)PdCl2] was synthesized that has subsequently proven to be an effective precatalyst for the aryl amination of bromoarenes. This (3IP)PdCl2 complex has been utilized in the catalytic aryl amination of both bromobenzene and bromopyridine derivatives, specifically yielding excellent activity in coupling reactions involving bromobenzene, 4-bromotoluene, and 2-bromopyridine. Using a standard set of catalytic conditions, many alkyl and aryl amines have been investigated as coupling partners in the aryl amination of bromoarenes. In general, secondary alkyl amines and ortho-substituted anilines proved to be the best substrates for this reaction, commonly giving quantitative conversion to products, while primary amines and other anilines gave only poor to moderate results. Catalytic screening data, product yields, and full characterization of isolated products are included. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2012.08.027

文献信息

• [EN] SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS<br/>[FR] SULFONAMIDES SUBSTITUÉS UTILES COMME INHIBITEURS DE BCL ANTI-APOPTOTIQUES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2012162365A1

  公开（公告）日：2012-11-29

  Disclosed are compounds of Formula (I), or a pharmaceutically acceptable salt thereof, wherein: W and Q and G are defined herein. Also disclosed are methods of using such compounds as inhibitors of Bcl-2 family antiapoptotic proteins for the treatment of cancer; and pharmaceutical compositions comprising such compounds.

  揭示了式（I）的化合物或其药学上可接受的盐，其中：W、Q和G在此处被定义。还揭示了将这些化合物用作Bcl-2家族抗凋亡蛋白的抑制剂以治疗癌症的方法；以及包含这些化合物的药物组合物。
• SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS
  申请人：Borzilleri Robert M.

  公开号：US20140135318A1

  公开（公告）日：2014-05-15

  Disclosed are compounds of Formula (I), or a pharmaceutically acceptable salt thereof, wherein: W and Q and G are defined herein. Also disclosed are methods of using such compounds as inhibitors of Bcl-2 family antiapoptotic proteins for the treatment of cancer; and pharmaceutical compositions comprising such compounds.

  本发明涉及式（I）的化合物或其药学上可接受的盐，其中：W、Q和G的定义如下。还公开了使用这些化合物作为Bcl-2家族抗凋亡蛋白的抑制剂用于治疗癌症的方法；以及包含这些化合物的药物组合物。
• Synthesis of Amines by the Intermolecular Schmidt Reaction of Aliphatic Azides with Carbocations
  作者：William H. Pearson、Wen-kui Fang

  DOI：10.1021/jo00121a001

  日期：1995.8
• Photooxidative set initiated N-demethylation of N,N'-dimethylanlines: Mimicking the cytochrome P-450 type oxygenations
  作者：Ganesh Pandey、K. Sudha Rani、U.T. Bhalerao

  DOI：10.1016/s0040-4039(00)88765-1

  日期：1990.1
• GALLIANI G.; RINDONE B., J. CHEM. SOC. PERKIN TRANS., PART 1, 1980, NO 3, 828-832
  作者：GALLIANI G.、 RINDONE B.

  DOI：——

  日期：——