2'-acetyl-N-benzyl-N-methylbenzylamine | 146581-02-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2'-acetyl-N-benzyl-N-methylbenzylamine
• 英文别名: 1-(2-{[benzyl(methyl)amino]methyl}phenyl)-1-enanone；1-[2-[[Benzyl(methyl)amino]methyl]phenyl]ethanone
• CAS: 146581-02-4
• 化学式: C₁₇H₁₉NO
• 分子量: 253.344
• InChiKey: QTNUWTMIXGSISQ-UHFFFAOYSA-N

物化性质

• 沸点：
  361.2±30.0 °C(Predicted)
• 密度：
  1.063±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2'-acetyl-N-benzyl-N-methylbenzylamine 在 dirhodium tetraacetate 、 对甲苯磺酰叠氮 、 sodium ethanolate 、 三乙胺 、 草酸二乙酯 作用下， 以 二氯甲烷 为溶剂， 生成 3-(Benzyl-methyl-amino)-indan-1-one
  参考文献：
  名称：

  New route to substituted piperidines via the Stevens [1,2]-shift of ammonium ylides

  摘要：

  DOI：

  10.1021/ja00056a069
• 作为产物：
  描述：

  o-bromomethylacetophenone 、 N-甲基苄胺 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以0.74 g的产率得到2'-acetyl-N-benzyl-N-methylbenzylamine
  参考文献：
  名称：

  Synthesis and evaluation of 4-amino-3,4-dihydro-2H-naphthalen-1-one derivatives as mast cell stabilising and anti-inflammatory compounds

  摘要：

  A novel series of amine and amide derivatives of 4-amino-3,4-dihydro-2H-naphthalen-1-one were synthesised. The amine derivatives were evaluated for mast cell stabilising activity in rodent mast cell preparations against the reference compound disodium cromoglycate and found to possess significant activity in vitro. The amide compounds were evaluated in an in vivo murine model for anti-inflammatory activity. (C) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.02.009

文献信息

• New route to substituted piperidines via the Stevens [1,2]-shift of ammonium ylides
  作者：F. G. West、B. N. Naidu

  DOI：10.1021/ja00056a069

  日期：1993.2
• Synthesis and evaluation of 4-amino-3,4-dihydro-2H-naphthalen-1-one derivatives as mast cell stabilising and anti-inflammatory compounds
  作者：James W. Barlow、John J. Walsh

  DOI：10.1016/j.ejmech.2008.02.009

  日期：2008.12

  A novel series of amine and amide derivatives of 4-amino-3,4-dihydro-2H-naphthalen-1-one were synthesised. The amine derivatives were evaluated for mast cell stabilising activity in rodent mast cell preparations against the reference compound disodium cromoglycate and found to possess significant activity in vitro. The amide compounds were evaluated in an in vivo murine model for anti-inflammatory activity. (C) 2008 Elsevier Masson SAS. All rights reserved.