CAS: 220353-20-8; 2,4-Difluoro-3-Methoxybenzonitrile

该化合物是一种有机化合物,其特点是芳香结构,包括一个由两个氟原子和一个甲氧组组成的苯环替换而成的苯环,以及一个环状体组;在苯环的2和4个位置上存在二氟替代成分,有助于其独特的电子特性,有可能增强各种溶剂的再活性和溶性;位于3个位置的甲氧基组是一个电子施食组,可以影响该化合物的总体极性和再活性; cyano组是一个强大的电吸附组,能够大大影响该化合物的化学行为,使其在各种合成应用中有用; 该化合物通常用于研究和开发,特别是在医药和农用化学化学学领域,因其潜在的生物活动和作为有机合成的中间体的效用.应当参考安全数据,用于处理和储存,以及任何化学物质.

英文名称2,4-Difluoro-3-Methoxybenzonitrile
中文名称2,4-二氟-3-甲氧基苯甲腈
IUPAC名称2,4-difluoro-3-methoxybenzonitrile
CAS编号220353-20-8
MFCD编号:MFCD04115932
EINECS号:679-034-9
分子式:C8H5F2NO
分子量:169.13
产品CID: 1143206
产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

相似结构搜索
InChIKey: RWTCBZZFDKXOLX-UHFFFAOYSA-N
InChI=1S/C8H5F2NO/c1-12-8-6(9)3-2-5(4-11)7(8)10/h2-3H,1H3…
计算化学: 氢键受体数2.0氢键供体数0可旋转键数1

MSDS等安全信息

GHS符号GHS07
警示词Warning
危险描述H302-H315-H319-H335
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
危险等级6.1
UN编号3439
危险品标志Xn

上下游产品

合成工艺路线路线简述

2,6-二氟苯酚置于palladium On Activated Charcoal 硫酸,氢气,碘,硝酸,铜,碳酸氢钠,Potassium Carbonate,Sodium Nitrite体系中,用溶剂黄146,乙酸乙酯,N,N-二甲基甲酰胺,丙酮用作溶剂,化学反应 31.5H,反应生成2,4-二氟-3-甲氧基苯甲腈
参考文献:2,6-Difluorophenol As A Bioisostere Of A Carboxylic Acid: Bioisosteric Analogues Of γ-Aminobutyric Acid
标题:2,6-Difluorophenol As A Bioisostere Of A Carboxylic Acid: Bioisosteric Analogues Of γ-Aminobutyric Acid
摘要:3-(Aminomethyl)-2,6-Difluorophenol (6) And 4-(Aminomethyl)-2,6-Difluorophenol (7) Were Synthesized In Eight And Four Steps,Respectively,Starting From 2,6-Difluorophenol,To Test The Potential Of The 2,6-Difluorophenol Moiety To Act As A Lipophilic Bioisostere Of A Carboxylic Acid. Compounds 6 And 7 Are Potential Bioisosteric Analogues Of Gamma-Aminobutyric Acid (Gaba). Substrate Studies And Inhibition Studies Were Carried Out With Pig Brain Gamma-Aminobutyric Acid Aminotransferase; 6 And 7 Are Very Poor Substrates,But Both Inhibit The Enzyme,Indicating That The 2,6-Difluorophenol Moiety Appears To Be Able To Substitute For A Carboxylic Acid To Increase The Lipophilicity Of Drug Candidates.
Doi:10.1021/jm980435L