acetic acid-(2-dimethylamino-phenyl ester) | 17579-35-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: acetic acid-(2-dimethylamino-phenyl ester)
• 英文别名: Essigsaeure-(2-dimethylamino-phenylester)；(Dimethylamino)phenyl acetate；[2-(dimethylamino)phenyl] acetate
• CAS: 17579-35-0
• 化学式: C₁₀H₁₃NO₂
• 分子量: 179.219
• InChiKey: JKWUWBZZRGZSCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  acetic acid-(2-dimethylamino-phenyl ester) 、 溴甲苯 以 丙酮 为溶剂， 生成 (2-Acetyloxyphenyl)-benzyl-dimethylazanium;bromide
  参考文献：
  名称：

  Oxyaniliniums as acetylcholinesterase inhibitors for the reversal of neuromuscular block

  摘要：

  A series of oxyanilinium-based AChE inhibitors have been synthesised and tested for the reversal of vecuronium-induced neuromuscular block. Several compounds, for example 2-hydroxy- and 2-methoxy-N,N-dimethyl-N-allylanilinium bromide (3 and 6) showed comparable reversal potencies to edrophonium and clean in vivo cardiovascular profiles. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00703-x
• 作为产物：
  描述：

  2-二甲基氨基-苯酚 、 乙酰氯 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 acetic acid-(2-dimethylamino-phenyl ester)
  参考文献：
  名称：

  Oxyaniliniums as acetylcholinesterase inhibitors for the reversal of neuromuscular block

  摘要：

  A series of oxyanilinium-based AChE inhibitors have been synthesised and tested for the reversal of vecuronium-induced neuromuscular block. Several compounds, for example 2-hydroxy- and 2-methoxy-N,N-dimethyl-N-allylanilinium bromide (3 and 6) showed comparable reversal potencies to edrophonium and clean in vivo cardiovascular profiles. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00703-x

文献信息

• Iron(III) Picolinate-Catalyzed Oxidative Demethylation of N,N-Dimethylaniline with Hydrogen Peroxide in the Presence of Acetic Anhydride.
  作者：Eiichi KOTANI、Tetsuya TAKEYA、Hideaki SHIMIZU、Hirotaka EGAWA、Takeshi YAMAMOTO、Seisho TOBINAGA

  DOI：10.1248/cpb.45.2089

  日期：——

  Oxidation of N, N-dimethylaniline (1) utilizing the Fe(PA)3/H2O2/MeCN system and the Fe(ClO4)3·9H2O/PHA-Py/H2O2/MeCN system, simple model systems for mono-oxygenases, in the presence of acetic anhydride (Ac2O) afforded predominantly the N-acetylative demethylation product, N-methylacetanilide (4), along with a few other compounds.

  在醋酸酐（Ac2O）存在下，利用单加氧酶的简单模型系统--Fe(PA)3/H2O2/MeCN 系统和 Fe(ClO4)3-9H2O/PHA-Py/H2O2/MeCN 系统--氧化 N,N-二甲基苯胺（1），主要得到了 N-乙酰基去甲基化产物 N-甲基乙酰苯胺（4）以及其他一些化合物。
• Postgenomic prospects of success in drug development and pharmacotherapy
  作者：A Rane

  DOI：10.1038/sj.tpj.6500013

  日期：2001.1.1
• DIANA G. D.; OGLESBY R. C.; AKULLIAN V.; CARABATEAS P. M.; CUTCLIFFE D.; +, J. MED. CHEM., 30,(1987) N 2, 383-388
  作者：DIANA G. D.、 OGLESBY R. C.、 AKULLIAN V.、 CARABATEAS P. M.、 CUTCLIFFE D.、 +

  DOI：——

  日期：——
• K-RAS MODULATORS
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US20200247762A1

  公开（公告）日：2020-08-06

  Provided herein, inter alia, are methods and compounds for modulating K-Ras treating cancer.
• Oxyaniliniums as acetylcholinesterase inhibitors for the reversal of neuromuscular block
  作者：Simon J.A. Grove、Jasmit Kaur、Alan W. Muir、Eleanor Pow、Gary J. Tarver、Ming-Qiang Zhang

  DOI：10.1016/s0960-894x(01)00703-x

  日期：2002.1

  A series of oxyanilinium-based AChE inhibitors have been synthesised and tested for the reversal of vecuronium-induced neuromuscular block. Several compounds, for example 2-hydroxy- and 2-methoxy-N,N-dimethyl-N-allylanilinium bromide (3 and 6) showed comparable reversal potencies to edrophonium and clean in vivo cardiovascular profiles. (C) 2002 Elsevier Science Ltd. All rights reserved.