CAS: 869478-12-6; (R)-6-(Benzyloxy)-8-(Oxiran-2-yl)-2H-Benzo[b][1,4]Oxazin-3(4H)-One

英文名称(R)-6-(Benzyloxy)-8-(Oxiran-2-yl)-2H-Benzo[b][1,4]Oxazin-3(4H)-One
中文名称(R)-6-(苄基氧基)-8-(环氧乙烷-2-基)-2H-苯并[b][1,4]恶嗪-3(4H)-酮
IUPAC名称(R)-6-(benzyloxy)-8-(oxiran-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one
其它别名(R)-6-Benzyloxy-8-(Oxiran-2-yl)-4H-Benzo[1,4]Oxazin-3-One; 8-(2R)-Oxiranyl-6-(Phenylmethoxy)-2H-1,4-Benzoxazin-3(4H)-One; 6-Benzyloxy-(8R)-Oxiranyl-4H-Benzo[1,4]Oxazin-3-One; 2H-1,4-Benzoxazin-3(4H)-One, 8-[(2R)-2-Oxiranyl]-6-(Phenylmethoxy)-; (R)-6-(Benzyloxy)-8-(Oxiran-2-yl)-2H-Benzo[b][1,4]Oxazin-3(4H)-One (R)-6-(Benzyloxy)-8-(Oxiran-2-yl)-2H-Benzo[b][1,4]Oxazin-3(4H)-One; (R) -6-Benzoxy-8 - (Ethylene Oxide - 2-yl) -4H- Benzo [1,4] Oxazine - 3-1; 8-(2R)-Oxiranyl-6-(Phenylmethoxy)-2H-1,4-Benzoxazin-3(4H)-O...; 6-(Benzyloxy)-8-[(2R)-Oxiran-2-Yl]-3,4-Dihydro-2H-1,4-Benzoxazin-3-One
CAS编号869478-12-6
MFCD编号:MFCD30729959
EINECS号:816-309-6
FDA UNII编号:K2LE8D3K6Z
分子式:C17H15NO4
分子量:297.31
产品CID: 1873270
产品分类有机原料→分子砌块→芳杂环类化合物→其它芳杂环类化合物

相似结构搜索
InChIKey: QKZJSZZMIRDNNQ-HNNXBMFYSA-N
InChI=1S/C17H15NO4/c19-16-10-22-17-13(15-9-21-15)6-12(7-14(17)18-16)20-8-11-4-2-1-3-5-11/h1-7,15H,8-10H2,(H,18,19)/t15-/m0/s1…
计算化学: 氢键受体数4.0氢键供体数1可旋转键数4

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
严重眼刺激类别2
警示词Warning(警告)
危险描述H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
防范说明P260-P261-P264-P270-P272-P273-P280-P302+P352-P362+P364-P391-P501
危险等级9
UN编号3077.0
包装等级Ⅲ
安全声明H303+H313+H333

欧盟法规

C&L通报

上下游产品

6-benzyloxy-8-((R)-2-chloro-1-hydroxyethyl)-4H-benzo[1,4]-oxazin-3-one 8-(bromoacetyl)-6-(phenylmethoxy)-2H-1,4-benzoxazin-3(4H)-one 2,5-Dihydroxyacetophenone 5-benzyloxy-2-hydroxyacetophenone 6-benzyloxy-8-{(R)-2-[4-(7-fluoro-3-methyl-2-oxo-2,3-dihydro-benzimidazol-1-yl)-1,1-dimethyl-butylamino]-1-hydroxy-ethyl}-4H-benzo[1,4]oxazin-3-one 6-benzyloxy-8-{(R)-1-hydroxy-2-[2-(4-methoxyphenyl)-1,1-dimethylethylamino]ethyl}-4H-benzo[1,4]oxazin-3-one 6-(phenylmethoxy)-8-[(1R)-1-hydroxy-2-[[2-(4-methoxyphenyl)-1,1-dimethylethyl]amino]ethyl]-2H-1,4-benzoxazin-3(4H)-one hydr°Chloride

合成工艺路线路线简述

869478-11-5 = 869478-12-6
反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Dimethylformamide,Water; 0 °C
标题:Discovery Of Olodaterol,A Novel Inhaled β2-Adrenoceptor Agonist With A 24H Bronchodilatory Efficacy
作者:Bouyssou,Thierry; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2010 卷标:20(4) 页码:1410-1414]

869478-09-1 = 869478-12-6
反应条件:1.1 Reagents: Tetrabutylammonium Tribromide Solvents: Methanol,1,4-Dioxane; 2 H,Rt1.2 Solvents: Water; 2 H,0 °C2.1 Reagents: Chlorobis[(1R,2S,3R,5R)-2,6,6-Trimethylbicyclo[3.1.1]Hept-3-Yl]Borane Solvents: Tetrahydrofuran; > 30 Min,0 °C; 1 H,0 °C2.2 Reagents: Sodium Hydroxide Solvents: Water; 2 H,0 °C
标题:Design,Synthesis And Biological Evaluation Of 8-(2-Amino-1-Hydroxyethyl)-6-Hydroxy-1,4-Benzoxazine-3(4H)-One Derivatives As Potent β2-Adrenoceptor Agonists
作者:Yi,Ce; Et Al
参考文献:Bioorganic & Medicinal Chemistry 日期:2020 卷标:28(1)]

861841-94-3 = 869478-12-6
反应条件:1.1 Reagents: Hydrogen Catalysts: Rhodium Solvents: Methanol; Rt2.1 Reagents: Potassium Carbonate Solvents: Acetonitrile; 0 °C; 0 °C -> Rt; 6 H,Reflux3.1 Reagents: Acetic Acid,Benzyltrimethylammonium Dichloroiodate Solvents: 1,2-Dichloroethane,Water; 65 °C4.1 Reagents: Formic Acid Catalysts: Stereoisomer Of [n-[(1R,2R)-2-(Amino-Kn)-1,2-Diphenylethyl]-4-Methylbenzenesulfo... Solvents: Triethylamine5.1 Reagents: Sodium Hydroxide Solvents: Dimethylformamide,Water; 0 °C
标题:Discovery Of Olodaterol,A Novel Inhaled β2-Adrenoceptor Agonist With A 24H Bronchodilatory Efficacy
作者:Bouyssou,Thierry; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2010 卷标:20(4) 页码:1410-1414]

926319-53-1 = 869478-12-6
反应条件:1.1 Reagents: Chlorobis[(1R,2S,3R,5R)-2,6,6-Trimethylbicyclo[3.1.1]Hept-3-Yl]Borane Solvents: Tetrahydrofuran; > 30 Min,0 °C; 1 H,0 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; 2 H,0 °C
标题:Design,Synthesis And Biological Evaluation Of 8-(2-Amino-1-Hydroxyethyl)-6-Hydroxy-1,4-Benzoxazine-3(4H)-One Derivatives As Potent β2-Adrenoceptor Agonists
作者:Yi,Ce; Et Al
参考文献:Bioorganic & Medicinal Chemistry 日期:2020 卷标:28(1)]

869478-10-4 = 869478-12-6
反应条件:1.1 Reagents: Formic Acid Catalysts: Stereoisomer Of [n-[(1R,2R)-2-(Amino-Kn)-1,2-Diphenylethyl]-4-Methylbenzenesulfo... Solvents: Triethylamine2.1 Reagents: Sodium Hydroxide Solvents: Dimethylformamide,Water; 0 °C
标题:Discovery Of Olodaterol,A Novel Inhaled β2-Adrenoceptor Agonist With A 24H Bronchodilatory Efficacy
作者:Bouyssou,Thierry; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2010 卷标:20(4) 页码:1410-1414]

79-04-9 + 861841-90-9 = 869478-12-6
反应条件:1.1 Reagents: Potassium Carbonate Solvents: Acetonitrile; 0 °C; 0 °C -> Rt; 6 H,Reflux2.1 Reagents: Acetic Acid,Benzyltrimethylammonium Dichloroiodate Solvents: 1,2-Dichloroethane,Water; 65 °C3.1 Reagents: Formic Acid Catalysts: Stereoisomer Of [n-[(1R,2R)-2-(Amino-Kn)-1,2-Diphenylethyl]-4-Methylbenzenesulfo... Solvents: Triethylamine4.1 Reagents: Sodium Hydroxide Solvents: Dimethylformamide,Water; 0 °C
标题:Discovery Of Olodaterol,A Novel Inhaled β2-Adrenoceptor Agonist With A 24H Bronchodilatory Efficacy
作者:Bouyssou,Thierry; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2010 卷标:20(4) 页码:1410-1414

6-苄氧-8-((R)-2-氯-1-羟基-乙基-4H-苯并[1,4]-噁嗪-3-酮以96的收率获得产物8-(2R)-环氧乙烷基-6-(苄氧基)-2H-1,4-苯并恶嗪-3(4H)-酮
参考文献:新的对映异构体纯的β－激动剂,其制备方法及其在药物形式中的用途
标题:新的对映异构体纯的β－激动剂,其制备方法及其在药物形式中的用途
摘要:本发明涉及对映异构体纯的式(1)化合物,其中r 1,R 2,R 3,R 4 及x －基团如权利要求书及说明书中所定义.还公开了制备所述化合物的方法以及它们在药物形式,特别是作为用于治疗呼吸道疾病的药物形式中的用途.所述化合物的合成是通过式(5)的手性环氧化物的方法完成的.