N-[4-(二甲氨基)苯基]-N-甲基乙酰胺 | 5369-36-8

• 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-(二甲氨基)苯基]-N-甲基乙酰胺
• 英文名称: 4-(N-methylacetamido)-NN-dimethylaniline
• 英文别名: N-(4-dimethylanilino)-N-methylacetamide；N⁴-Acetyl-N¹,N¹,N⁴-trimethyl-p-phenylendiamin；N-[4-(Dimethylamino)phenyl]-N-methylacetamide
• CAS: 5369-36-8
• 化学式: C₁₁H₁₆N₂O
• mdl: MFCD28157642
• 分子量: 192.261
• InChiKey: XZKXXWPRXPQCBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2924299090

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 4′-氨基-N-甲基乙酰苯胺 在 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 生成 N-[4-(二甲氨基)苯基]-N-甲基乙酰胺
  参考文献：
  名称：

  Amide Conformational Switching Induced by Protonation of Aromatic Substituent

  摘要：

  Introduction of an electron-withdrawing group on the aromatic ring of N-methylacetanilide decreased the ratio of the cis conformer, and the ratio correlates well with the Hammett sigma values of the substituents. These steric properties can be applied to achieve amide conformational swiching by protonation at the aromatic substituent of 4-[bis(dimethylamino)]-N-methylacetanilide or N-[p-(dimethylamino)phenyl]-N- phenylacetamide.

  DOI：

  10.1021/ol034344g

文献信息

• Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments
  申请人：Schwink Lothar

  公开号：US20070207991A1

  公开（公告）日：2007-09-06

  The invention relates to substituted N-aryl heterocycles and to the physiologically tolerated salts and physiologically functional derivatives thereof. Compounds of the formula I in which the radicals have the stated meanings the N-oxides and the physiologically tolerated salts thereof and process for the preparation thereof are described. The compounds are suitable for example as anorectic agents.

  该发明涉及取代的N-芳基杂环化合物及其生理耐受盐和生理功能衍生物。描述了公式I中化合物，其中基团具有所述的含义，以及其N-氧化物和生理耐受盐和其制备方法。这些化合物例如适用于作为抑制食欲的药物。
• Sheradsky, Tuvia; Nov, Eliahu, Journal of the Chemical Society. Perkin transactions I, 1983, # 3, p. 527 - 530
  作者：Sheradsky, Tuvia、Nov, Eliahu

  DOI：——

  日期：——
• SHERADSKY, T.;NOV, E., J. CHEM. SOC. PERKIN TRANS., 1983, N 3, 527-529
  作者：SHERADSKY, T.、NOV, E.

  DOI：——

  日期：——
• US7968550B2
  申请人：——

  公开号：US7968550B2

  公开（公告）日：2011-06-28
• Amide Conformational Switching Induced by Protonation of Aromatic Substituent
  作者：Ryu Yamasaki、Aya Tanatani、Isao Azumaya、Shoichi Saito、Kentaro Yamaguchi、Hiroyuki Kagechika

  DOI：10.1021/ol034344g

  日期：2003.4.1

  Introduction of an electron-withdrawing group on the aromatic ring of N-methylacetanilide decreased the ratio of the cis conformer, and the ratio correlates well with the Hammett sigma values of the substituents. These steric properties can be applied to achieve amide conformational swiching by protonation at the aromatic substituent of 4-[bis(dimethylamino)]-N-methylacetanilide or N-[p-(dimethylamino)phenyl]-N- phenylacetamide.