N-(3,4-二甲氧基苄基)-2-苯基乙胺 | 3241-76-7

• 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-(3,4-二甲氧基苄基)-2-苯基乙胺
• 英文名称: N-Veratryl-2-phenethyl-amin
• 英文别名: phenethyl-veratryl-amine；Phenaethyl-veratryl-amin；(3,4-Dimethoxybenzyl)(2-phenylethyl)amine；N-[(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine
• CAS: 3241-76-7
• 化学式: C₁₇H₂₁NO₂
• 分子量: 271.359
• InChiKey: CKFVAYWLHADYJV-UHFFFAOYSA-N

物化性质

• 沸点：
  182 °C(Press: 0.35 Torr)
• 密度：
  1.058±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  30.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2922299090

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 N-(3,4-二甲氧基苄基)-2-苯基乙胺 在 甲酸 、 水 作用下， 生成 methyl-phenethyl-veratryl-amine
  参考文献：
  名称：

  Antifibrillatory Agents. The Preparation of Some N-Benzyl-N-methylphenethylamines

  摘要：

  DOI：

  10.1021/ja01175a050
• 作为产物：
  描述：

  2-苯乙胺 在 溶剂黄146 、 铂 作用下， 生成 N-(3,4-二甲氧基苄基)-2-苯基乙胺
  参考文献：
  名称：

  SOME SUBSTITUTED DI-(BETA-PHENYLETHYL)-AMINES AND BENZYL-BETA-PHENYLETHYLAMINES

  摘要：

  DOI：

  10.1021/ja01357a023

文献信息

• Antifibrillatory Agents. The Preparation of Some N-Benzyl-N-methylphenethylamines
  作者：A. R. Surrey、A. Mooradian、R. A. Cutler、C. M. Suter、J. S. Buck

  DOI：10.1021/ja01175a050

  日期：1949.7
• Synthesis, structure–activity relationship and in vitro biological evaluation of N-arylethyl isoquinoline derivatives as Coxsackievirus B3 inhibitors
  作者：Yan-Xiang Wang、Yu-Huan Li、Ying-Hong Li、Rong-Mei Gao、Hui-Qiang Wang、Yan-Xin Liu、Li-Mei Gao、Qiao-Ni Lu、Jian-Dong Jiang、Dan-Qing Song

  DOI：10.1016/j.bmcl.2011.08.002

  日期：2011.10

  Currently, there is no approved antiviral drug for the infection caused by enteroviruses. A series of novel N-arylethyl isoquinoline derivatives defined with substituents on the ring A and C were designed, synthesized and evaluated in vitro for their activities against Coxsackievirus B3 (CVB3). The primary structure-activity relationship revealed that substituents on the ring A were not beneficial for the activity. Among these analogs synthesized, compound 7f bearing a methylenedioxy at the R(4) and R(5) positions afforded an anti-CVB3 activity and a reasonable selectivity index (SI = 26.8); furthermore, 7f exhibited a moderate activity against enterovirus 71 (EV71) with SI value of 9.0. Thus it has been selected as an anti-enteroviral lead compound for further investigation. (C) 2011 Elsevier Ltd. All rights reserved.
• ENANTIOSELECTIVE METHOD FOR SEPARING SUBSTITUTED 2-TRIFLUOROMETHYL-2H-CHROMENE-3-CARBOXYLIC ACID DERIVATIVES
  申请人：Pharmacia & Upjohn Company LLC

  公开号：EP1773802A1

  公开（公告）日：2007-04-18
• EP1981831A2
  申请人：——

  公开号：EP1981831A2

  公开（公告）日：2008-10-22
• SKIN CARE COMPOSITIONS COMPRISING SUBSTITUTED MONOAMINES
  申请人：Unilever PLC

  公开号：EP2598110B1

  公开（公告）日：2015-09-02