CAS: 73775-50-5; 2-(4-Chlorophenyl)-4-(Dimethylamino)Butanenitrile

英文名称2-(4-Chlorophenyl)-4-(Dimethylamino)Butanenitrile
中文名称氯苯那敏杂质
IUPAC名称2-(4-chlorophenyl)-4-(dimethylamino)butanenitrile
其它别名4-Chloro-α-[2-(Dimethylamino)Ethyl]Benzeneacetonitrile; 4-Chloro-α-[2-(Dimethylamino)Ethyl]Benzeneacetonitrile (>2-(4-Chlorophenyl)-4-(Dimethylamino)Butanenitrile; Chlorphenamine Impurity 14; 4-Chloro-α-[2-(Dimethylamino)Ethyl]Benzeneacetonitrile (>); Chlorphenamine Impurity 17; 4-Chloro-A-[2-(Dimethylamino)Ethyl]Benzeneacetonitrile; Chlorpheniramine Impurity 16
CAS编号73775-50-5
MFCD编号:MFCD16312668
分子式:C12H15ClN2分子量:222.72
产品CID: 1725454
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: IWVFHDSZVODKIB-UHFFFAOYSA-N
InChI=1S/C12H15ClN2/c1-15(2)8-7-11(9-14)10-3-5-12(13)6-4-10/h3-6,11H,7-8H2,1-2H3
计算化学: 氢键受体数2.0氢键供体数*可旋转键数4.0

物理性质

沸点139-140 °C(压力: 2.5 Torr)
密度1.0916 g/cm3
pKa:9.04±0.28(预测)
LogP:2.6
溶解性Chloroform (Slightly), Dichloromethane, DMSO, Methanol (Slightly)
外观形态淡黄色油状物

MSDS等安全信息

上下游产品

2-Chlorophenylacetonitrile 2-(dimethylamino)ethyl chloride p-chlorobenzyl cyanide 2-(4-Chloro-phenyl)-4-dimethylamino-butyraldehyde oxime 2-(4-Chloro-phenyl)-4-dimethylamino-butyramidine; hydr°Chloride Chlorpheniramine

合成工艺路线路线简述

📜2-(4-氯苯基)-4-(二甲氨基)丁醛置于二硫化碳,Sodium Hydroxide,羟胺,四丁基硫酸氢铵体系中,用二氯甲烷作为反应溶剂,化学反应 0.5H,反应生成氯苯那敏杂质
参考文献:New Synthetic Route To Pheniramines Via Hydroformylation Of Functionalyzed Olefins
标题:New Synthetic Route To Pheniramines Via Hydroformylation Of Functionalyzed Olefins
摘要:
DOI:10.1021/jo00102A044