CAS: 866923-62-8; 2-(1-((((R)-1-(3-((E)-2-(7-Chloroquinolin-2-yl)Vinyl)Phenyl)-3-(2-(2-Hydroxypropan-2-yl)Phenyl)Propyl)Sulfanyl)Methyl)Cyclopropyl)Acetonitrile

英文名称2-(1-((((R)-1-(3-((E)-2-(7-Chloroquinolin-2-yl)Vinyl)Phenyl)-3-(2-(2-Hydroxypropan-2-yl)Phenyl)Propyl)Sulfanyl)Methyl)Cyclopropyl)Acetonitrile
中文名称孟鲁司特环丙烷乙腈
CAS编号866923-62-8
FDA UNII编号:YS7B2ZWL9Z
分子式:C35H35ClN2OS分子量:567.18
产品CID: 1870128
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: LFNFSZSLPYLMBG-LDXVMNHOSA-N
1S/C35H35ClN2OS/c1-34(2,39)31-9-4-3-7-26(31)13-17-33(40-24-35(18-19-35)20-21-37)28-8-5-6-25(22-28)10-15-30-16-12-27-11-14-29(36)23-32(27)38-30/h3-12,14-16,22-23,33,39H,13
计算化学: 氢键受体数4.0氢键供体数1.0可旋转键数11.0

MSDS等安全信息

上下游产品

(1-[(1(R)-(3-((E)-2-(7-chloroquinolin-2-yl)ethenyl)phenyl)-3-(2-(1-(tetrahydropyran-2-yloxy)-1-methylethyl)phenyl)propyl)thiomethyl]cyclopropyl)acetonitrile sodium cyanide 1-(mercaptomethyl)cyclopropane acetonitrile (S)-benzenepropanol α-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methyl ethyl)-α-methane sulfonate(R,E)-2-((1-((1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)sulfanyl)methyl)cyclopropyl)acetamide 2-(2-((R)-3-(3-((E)-2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(((1-(hydroxymethyl)cyclopropyl)methyl)sulfanyl)propyl) phenyl)propan-2-ol (S,E)-1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propan-1-ol montelukast

合成工艺路线路线简述

165896-49-1 = 866923-62-8
反应条件:1.1 Solvents: Toluene,Tetrahydrofuran; 0 °C; 4 H,5 °C1.2 Reagents: Acetic Acid Solvents: Water; < 10 °C; 1 H,25 °C2.1 Reagents: Methanesulfonyl Chloride,Diisopropylethylamine Solvents: Dichloromethane; -20 °C; 30 - 45 Min,-15 °C2.2 Reagents: Butyllithium Solvents: Tetrahydrofuran; -15 °C; 30 Min,-15 °C2.3 30 Min,-15 °C; 5 H,5 °C2.4 Reagents: Sodium Chloride Solvents: Water; < 10 °C; < 10 °C -> 25 °C; 1 H,25 °C3.1 Reagents: Triethylamine Catalysts: Triphenylphosphine,Palladium Diacetate Solvents: Dimethylformamide; 6 - 8 H,110 °C; 110 °C -> 50 °C
标题:New And Practical Synthesis Of Montelukast Sodium,An Antiasthmatic Drug
作者:Saravanan,M.; Et Al
参考文献:Synthetic Communications 日期:2013 卷标:43(15) 页码:2050-2056]

177748-00-4 + 1433669-59-0 = 866923-62-8
反应条件:1.1 Reagents: Triethylamine Catalysts: Triphenylphosphine,Palladium Diacetate Solvents: Dimethylformamide; 6 - 8 H,110 °C; 110 °C -> 50 °C
标题:New And Practical Synthesis Of Montelukast Sodium,An Antiasthmatic Drug
作者:Saravanan,M.; Et Al
参考文献:Synthetic Communications 日期:2013 卷标:43(15) 页码:2050-2056]

1779-49-3 + 59394-27-3 = 866923-62-8
反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran,Hexane; 1 H,0 - 5 °C1.2 Solvents: Dichloromethane,Tetrahydrofuran; 0 °C; 4 H,5 - 15 °C2.1 Reagents: Triethylamine Catalysts: Triphenylphosphine,Palladium Diacetate Solvents: Dimethylformamide; 6 - 8 H,110 °C; 110 °C -> 50 °C
标题:New And Practical Synthesis Of Montelukast Sodium,An Antiasthmatic Drug
作者:Saravanan,M.; Et Al
参考文献:Synthetic Communications 日期:2013 卷标:43(15) 页码:2050-2056]

762273-01-8 + 866923-64-0 = 866923-62-8
反应条件:1.1 Reagents: Methanesulfonyl Chloride,Diisopropylethylamine Solvents: Dichloromethane; -20 °C; 30 - 45 Min,-15 °C1.2 Reagents: Butyllithium Solvents: Tetrahydrofuran; -15 °C; 30 Min,-15 °C1.3 30 Min,-15 °C; 5 H,5 °C1.4 Reagents: Sodium Chloride Solvents: Water; < 10 °C; < 10 °C -> 25 °C; 1 H,25 °C2.1 Reagents: Triethylamine Catalysts: Triphenylphosphine,Palladium Diacetate Solvents: Dimethylformamide; 6 - 8 H,110 °C; 110 °C -> 50 °C
标题:New And Practical Synthesis Of Montelukast Sodium,An Antiasthmatic Drug
作者:Saravanan,M.; Et Al
参考文献:Synthetic Communications 日期:2013 卷标:43(15) 页码:2050-2056]

4965-33-7 = 866923-62-8
反应条件:1.1 Reagents: Selenium Dioxide Solvents: Tetrahydrofuran,Water; 6 H,25 °C2.1 Reagents: Butyllithium Solvents: Tetrahydrofuran,Hexane; 1 H,0 - 5 °C2.2 Solvents: Dichloromethane,Tetrahydrofuran; 0 °C; 4 H,5 - 15 °C3.1 Reagents: Triethylamine Catalysts: Triphenylphosphine,Palladium Diacetate Solvents: Dimethylformamide; 6 - 8 H,110 °C; 110 °C -> 50 °C
标题:New And Practical Synthesis Of Montelukast Sodium,An Antiasthmatic Drug
作者:Saravanan,M.; Et Al
参考文献:Synthetic Communications 日期:2013 卷标:43(15) 页码:2050-2056]

165896-48-0 = 866923-62-8
反应条件:1.1 Reagents: Chlorobis[(1R,2S,3R,5R)-2,6,6-Trimethylbicyclo[3.1.1]Hept-3-Yl]Borane Solvents: Dichloromethane,Heptane; 8 H,25 °C1.2 Reagents: Ammonia Solvents: Water; < 10 °C; < 10 °C -> 25 °C; 1 H,25 °C2.1 Solvents: Toluene,Tetrahydrofuran; 0 °C; 4 H,5 °C2.2 Reagents: Acetic Acid Solvents: Water; < 10 °C; 1 H,25 °C3.1 Reagents: Methanesulfonyl Chloride,Diisopropylethylamine Solvents: Dichloromethane; -20 °C; 30 - 45 Min,-15 °C3.2 Reagents: Butyllithium Solvents: Tetrahydrofuran; -15 °C; 30 Min,-15 °C3.3 30 Min,-15 °C; 5 H,5 °C3.4 Reagents: Sodium Chloride Solvents: Water; < 10 °C; < 10 °C -> 25 °C; 1 H,25 °C4.1 Reagents: Triethylamine Catalysts: Triphenylphosphine,Palladium Diacetate Solvents: Dimethylformamide; 6 - 8 H,110 °C; 110 °C -> 50 °C
标题:New And Practical Synthesis Of Montelukast Sodium,An Antiasthmatic Drug
作者:Saravanan,M.; Et Al
参考文献:Synthetic Communications 日期:2013 卷标:43(15) 页码:2050-2056

📜(S)-2-[3-(3-Bromo-Phenyl)-3-Hydroxy-Propyl]-Benzoic Acid Methyl Ester置于正丁基锂,Palladium Diacetate,三乙胺,N,N-二异丙基乙胺,三苯基膦体系中,用四氢呋喃,二氯甲烷,N,N-二甲基甲酰胺,甲苯作为反应溶剂,化学反应 10.0H,反应生成孟鲁司特环丙烷乙腈
参考文献:抗哮喘药物孟鲁司特钠的新型实用合成
标题:抗哮喘药物孟鲁司特钠的新型实用合成
摘要:摘要描述了一种新的,实用的抗哮喘药物孟鲁司特钠的合成方法.关键步骤是通过使用 (-)-Dip-Cl 手性还原酮酯 9 合成腈衍生物 4,通过 Wittig 反应合成乙烯基喹啉骨架 16,以及腈 4 与乙烯基喹啉 16 的 Heck 偶联. 该方法操作简单适合原料药的工业化生产.补充材料可用于本文.转至出版商的 Synthetic Communications® 在线版以查看免费的补充文件.图形概要
DOI:10.1080/00397911.2012.684755