CAS: 83356-60-9; 3-(4-(2-Hydroxy-3-(Isopropylamino)Propoxy)Phenyl)Propionic Acid Hydrochloride

该化合物是一种苯丙胺抗抑郁剂,它作为血清素对抗剂和再摄取抑制剂(SARI)发挥作用,主要用于治疗主要抑制性紊乱症(MDD),提供与选择性血清素再摄取抑制剂和三环抗抑郁剂(TCAs)相比的截然不同的药理学剖面,Nefazodone调制的血清素...

英文名称3-(4-(2-Hydroxy-3-(Isopropylamino)Propoxy)Phenyl)Propionic Acid Hydrochloride
中文名称艾司洛尔酸钠
CAS编号83356-60-9
FDA UNII编号:9BRF3Y7PQD
分子式:C15H22NNaO4分子量:303.32925
产品CID: 1822580
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: KIRQRJMXRCCUNZ-UHFFFAOYSA-N
1S/C15H23NO4.ClH/c1-11(2)16-9-13(17)10-20-14-6-3-12(4-7-14)5-8-15(18)19;/h3-4,6-7,11,13,16-17H,5,8-10H2,1-2H3,(H,18,19);1H
计算化学: 氢键受体数5.0氢键供体数4.0可旋转键数9.0

物理性质

熔点195-197°C
沸点195-197 °C
LogP:4.3
溶解性DMF: Insol,DMSO: Insol,Ethanol: Insol,Pbs (Ph 7.2): 5 mg/mL
外观形态固体
储存条件冰箱

上下游产品

4-hydroxyphenylpropionic acid 3-(4-hydroxyphenyl)propionic acid methyl ester propionatemethyl 3-4-(2,3-epoxypropoxy)phenylpropionate esmolol hydr°Chloride

合成工艺路线路线简述

合成目标产物 Esmolol Acid Sodium Salt 主要起始原料 Methyl 3-(4-Hydroxyphenyl)Propionate
(文献来源)合成步骤主要原料 Methyl 3-(4-Hydroxyphenyl)Propionate

📜盐酸艾司洛尔置于盐酸,三丁基氧化锡体系中,用甲醇,甲苯作为反应溶剂,化学反应 48.25H,反应生成艾司洛尔酸钠
参考文献:Hitting A Soft Drug With A Hard Nucleophile: Preparation Of Esmolol'S Metabolite By Treatment With Bis(Tributyltin) Oxide
标题:Hitting A Soft Drug With A Hard Nucleophile: Preparation Of Esmolol'S Metabolite By Treatment With Bis(Tributyltin) Oxide
摘要:A Facile Method For The Production Of Esmolol'S Metabolite In High Purity Is Described. Bis(Tributyltin) Oxide Is Used To Disrupt Esmolol'S Ester Linkage,And Hydrolysis Is Completed By Addition Of Water,Which Also Allows The Inorganic Side Products To Be Conveniently Extracted Into Ether. Evaporation Of The Aqueous Phase And Trituration With Ethyl Acetate Provides The Carboxylic Acid-Amine Internal Salt As A White,Free-Flowing Powder.
DOI:10.1080/00397911.2010.530375