CAS: 1391052-24-6; 3,4-Bis(Cyclopropylmethoxy)-N-(3,5-Dichloropyridin-4-yl)Benzamide

该化合物其结构复杂,包括一种苯并胺核心,替代了环丙基甲基环丙基和二氯丙基苯基双丁基.该化合物通常具有与氨和芳香化合物相关的特性,如有机溶剂中的中溶性以及由于其特定功能组别而可能发生的生物活动.二氯-4-丙基丁基组的存在表明与生物目标之间可能发生相互作用,从而引起对药用化学的兴趣.环丙基苯丙基乙基苯氧基子组可能影响到化合物的消毒特性和电子特性,并可能影响其在生物系统中的再活动性和结合性.

英文名称3,4-Bis(Cyclopropylmethoxy)-N-(3,5-Dichloropyridin-4-yl)Benzamide
中文名称3,4-双(环丙基甲氧基)-n-(3,5-二氯吡啶-4-基)苯甲酰胺
IUPAC名称3,4-bis(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)benzamide
CAS编号1391052-24-6
MFCD编号:MFCD23703092
分子式:C20H20Cl2N2O3分子量:407.3
产品CID: 604296
产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

相似结构搜索
InChIKey: YQDXYEVCMGROIA-UHFFFAOYSA-N
InChI=1S/C20H20Cl2N2O3/c21-15-8-23-9-16(22)19(15)24-20(25)14-5-6-17(26-10-12-1-2-12)18(7-14)27-11-13-3-4-13/h5-9,12-13H,1-4,10-11H2,(H,23,24,25)
计算化学: 氢键受体数4.0氢键供体数1.0可旋转键数8.0

MSDS等安全信息

GHS符号GHS07
警示词Warning
危险描述H302-H315-H319-H332-H335
防范说明P261-P280-P305+P351+P338

上下游产品

3,5-dichloro-4-aminopyridine 3,4-bis(cyclopropylmethoxy)benzoyl chloride 3,4-dihydroxybenzaldehyde 3,4-bis(cyclopropylmethoxy)benzaldehyde

合成工艺路线路线简述

📜3,4-Bis(Cyclopropylmethoxy)Benzaldehyde置于sodium Chlorite,氯化亚砜,氨基磺酸,Sodium Hydride,N,N-二甲基甲酰胺体系中,用水,甲苯,乙腈用作溶剂,化学反应 6.0H,反应生成3,4-双(环丙基甲氧基)-N-(3,5-二氯吡啶-4-基)苯甲酰胺
参考文献:Synthesis Of An Impurity In Crude Roflumilast
标题:Synthesis Of An Impurity In Crude Roflumilast
摘要:A Simple Synthetic Method Has Been Developed For The Synthesis Of 3,4-Bis(Cyclopropylmethoxy)-N-(3,5-Dichloropyridin-4-yl) Benzamide (An Impurity In Crude Roflumilast) From 3,4-Dihydroxybenzaldehyde Via Alkylation,Oxidation,Chlorination And Acylation Reactions. Acetonitrile Was Used As The Solvent In All The Three Steps For Convenient Recovery. The Oxidation Of 3,4-Bis(Cyclopropylmethoxy) Benzaldehyde (Purity,86.2%) By Sodium Chlorite Afforded The Corresponding Acid With Purity Of 99.2%. Finally,N-Acylation Of 3,5-Dichloropyridin-4-Amine Yielded 3,4-Bis(Cyclopropylmethoxy)-N-(3,5-Dichloropyridin-4-yl) Benzamide. Without Column Chromatography,The Overall Yield Of The Target Compound Was About 70%.
Doi:10.3184/174751914X14061300074410