CAS: 869112-31-2; 4-(Hydroxydiphenylmethyl)-1-(2-Hydroxyethyl)Quinuclidin-1-Ium Bromide

该化合物是四铵化合物,其特点是双环结构和存在积极充电的氮原子.该化合物具有氢氧二苯基甲基组和氢氧乙基子分质,有助于其溶解性和生物系统中的潜在相互作用.溴离子作为反作用物,平衡了该聚苯的正电荷.通常,这种化合物具有极溶溶剂的高溶性,潜在的抗微生物活性以及与生物膜相互作用的能力.氢氧基组的存在表明可能具有氢联结能力,可能影响其再活性和稳定性.此外,双环结构可能会产生独特的消毒和电子特性,使其对包括药用化学和材料科学在内的各种应用感兴趣.

英文名称4-(Hydroxydiphenylmethyl)-1-(2-Hydroxyethyl)Quinuclidin-1-Ium Bromide
中文名称4-(羟基二苯甲基)-1-(2-羟基乙基)奎尼环素-1-溴化铵
IUPAC名称4-(hydroxydiphenylmethyl)-1-(2-hydroxyethyl)quinuclidin-1-ium bromide
其它别名乌米替丁溴化物杂质3; Umeclidinium Impurity 4
CAS编号869112-31-2
分子式:C22H28BrNO2分子量:418.38
产品CID: 1872704
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: ISRCFEMWSXVREU-UHFFFAOYSA-M
InChI=1S/C22H28NO2.BrH/c24-18-17-23-14-11-21(12-15-23,13-16-23)22(25,19-7-3-1-4-8-19)20-9-5-2-6-10-20;/h1-10,24-25H,11-18H2;1H/q+1;/p-1
计算化学: 氢键受体数2.0氢键供体数2可旋转键数5

相似化合物

461648-39-5 115-46-8 479035-75-1

MSDS等安全信息

防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

上下游产品

α,α-diphenyl-1-azabicyclo[2.2.2]°Ctane-4-methanol 2-bromoethanol azabicyclo[2.2.2]°Ctane-4-carboxylic acid ethyl ester 4-carbethoxypiperidine

合成工艺路线路线简述

869112-14-1 = 869112-31-2
反应条件:1.1 Reagents: Lithium Diisopropylamide Solvents: Ethylbenzene,Tetrahydrofuran,Heptane; Rt -> -50 °C; 25 Min,-50 °C; 16 H,-50 °C -> Rt1.2 Reagents: Potassium Carbonate Solvents: Water2.1 Solvents: Diethyl Ether,Tetrahydrofuran,Cyclohexane; Rt -> -30 °C; 25 Min,-30 °C; 16 H,-30 °C -> Rt2.2 Reagents: Water3.1 Solvents: Chloroform,Acetonitrile; 16 H,60 °C; 60 °C -> Rt
标题:Discovery Of Novel 1-Azoniabicyclo[2.2.2]Octane Muscarinic Acetylcholine Receptor Antagonists
作者:Laine,Dramane I.; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2009 卷标:52(8) 页码:2493-2505]

461648-39-5 = 869112-31-2
反应条件:1.1 Solvents: Chloroform,Acetonitrile; 16 H,60 °C; 60 °C -> Rt
标题:Discovery Of Novel 1-Azoniabicyclo[2.2.2]Octane Muscarinic Acetylcholine Receptor Antagonists
作者:Laine,Dramane I.; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2009 卷标:52(8) 页码:2493-2505]

22766-68-3 + 591-51-5 = 869112-31-2
反应条件:1.1 Solvents: Diethyl Ether,Tetrahydrofuran,Cyclohexane; Rt -> -30 °C; 25 Min,-30 °C; 16 H,-30 °C -> Rt1.2 Reagents: Water2.1 Solvents: Chloroform,Acetonitrile; 16 H,60 °C; 60 °C -> Rt
标题:Discovery Of Novel 1-Azoniabicyclo[2.2.2]Octane Muscarinic Acetylcholine Receptor Antagonists
作者:Laine,Dramane I.; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2009 卷标:52(8) 页码:2493-2505]

1126-09-6 = 869112-31-2
反应条件:1.1 Reagents: Potassium Carbonate Solvents: Acetone; 24 H,Rt2.1 Reagents: Lithium Diisopropylamide Solvents: Ethylbenzene,Tetrahydrofuran,Heptane; Rt -> -50 °C; 25 Min,-50 °C; 16 H,-50 °C -> Rt2.2 Reagents: Potassium Carbonate Solvents: Water3.1 Solvents: Diethyl Ether,Tetrahydrofuran,Cyclohexane; Rt -> -30 °C; 25 Min,-30 °C; 16 H,-30 °C -> Rt3.2 Reagents: Water4.1 Solvents: Chloroform,Acetonitrile; 16 H,60 °C; 60 °C -> Rt
标题:Discovery Of Novel 1-Azoniabicyclo[2.2.2]Octane Muscarinic Acetylcholine Receptor Antagonists
作者:Laine,Dramane I.; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2009 卷标:52(8) 页码:2493-2505

📜二苯基(奎宁环-4-基)甲醇,2-溴乙醇以乙腈作为反应溶剂,以to Give The Desired Product (0.0541 G,60.1%)的收率获得产物芜地溴铵杂质4
参考文献:Muscarinic Acetylcholine Receptor Antagonists
标题:Muscarinic Acetylcholine Receptor Antagonists
摘要:本发明提供了使用毒蕈碱乙酰胆碱受体拮抗剂的方法.