CAS: 926319-53-1; 6-(Benzyloxy)-8-(2-Bromoacetyl)-2H-Benzo[b][1,4]Oxazin-3(4H)-One

该化合物是一个化学化合物,其结构复杂,包括一个苯并[b][1,4-4]oxazine核心;该化合物具有苯并氧基组和一个溴乙酰基替代成分,有助于其再活动及潜在的生物活动;溴原子的存在可能增强它的电益特性,使其适合各种化学反应,包括核生殖替代.氧化氮环因其稳定性而著称,并能够参与各种化学转化.该化合物可能具有有趣的药用特性,成为进一步研究医药化学研究的候选物.该化合物的独特结构表明药物开发中的潜在用途,特别是针对特定生物途径.与许多合成有机化合物一样,其溶性,稳定性和再活性可因环境条件而有所差异,例如pH和溶剂极性.

英文名称6-(Benzyloxy)-8-(2-Bromoacetyl)-2H-Benzo[b][1,4]Oxazin-3(4H)-One
中文名称6-(苄氧基)-8-(2-溴乙酰基)-2H-苯并[b][1,4]噁嗪-3(4H)-酮
IUPAC名称6-(benzyloxy)-8-(2-bromoacetyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
其它别名6-(Benzyloxy)-8-(2-Bromoacetyl)-2H-Benzo[b][1,4]Oxazin-3(4H)-One; 2H-1,4-Benzoxazin-3(4H)-One, 8-(2-Bromoacetyl)-6-(Phenylmethoxy)-; 8-(Bromoacetyl)-6-(Phenylmethoxy)-2H-1,4-Benzoxazin-3(4H)-One; 6-(Benzyloxy)-8-(2-Bromoacetyl)-2H-Benzo[b][1,4]Oxazin-3(4H)-One 6-(Benzyloxy)-8-(2-Bromoacetyl)-2H-Benzo[b][1,4]Oxazin-3(4H)-One; 6- (Benzoxy) -8- (2-Bromoacetyl) -2H- Benzo [b] [1,4] Oxazine -3 (4H) - A; 6-(Benzyloxy)-8-(2-Bromoacetyl)-2H-Benzo[b][1,4]Oxazin-3(4H)...; Olodaterol Impurity 20; 6- (Benzyloxy) -8- (2-Bromoacetyl) -2H Benzo [1,4] Oxazin-3 (4H) - One
CAS编号926319-53-1
MFCD编号:MFCD26743525
EINECS号:811-427-4
FDA UNII编号:4C5QG2JAL7
分子式:C17H14BrNO4
分子量:376.21
产品CID: 1965178
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: BSFCOXSPKRDYSL-UHFFFAOYSA-N
InChI=1S/C17H14BrNO4/c18-8-15(20)13-6-12(22-9-11-4-2-1-3-5-11)7-14-17(13)23-10-16(21)19-14/h1-7H,8-10H2,(H,19,21)…
计算化学: 氢键受体数4.0氢键供体数1.0可旋转键数5.0

相似化合物

869478-09-1 2248125-51-9 869478-10-4

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别急性毒性类别4(经口)
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
急性毒性类别4(吸入)
急性毒性类别4(经皮)
警示词Warning(警告)
危险描述H302 |吞咽有害.
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.
H332 |吸入有害.
H312 |皮肤接触有害.
防范说明P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
危险等级8
UN编号1759.0
包装等级Ⅲ

欧盟法规

ECHA物质C&L通报

上下游产品

CAS号869478-09-1 8-乙酰基-6-苄氧基-4H-...

合成工艺路线路线简述

869478-09-1 = 926319-53-1
反应条件:1.1 Reagents: Tetrabutylammonium Tribromide Solvents: Methanol,1,4-Dioxane; 2 H,Rt1.2 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; Xing,Gang; Wang,Siqi; Li,Xiaoran; Liu,Yichuang; Et Al
参考文献:Bioorganic & Medicinal Chemistry 日期:2020 卷标:28(1)]

869478-09-1 = 926319-53-1
反应条件:1.1 Reagents: Tetrabutylammonium Tribromide Solvents: Methanol,1,4-Dioxane; 2 H,20 °C1.2 Solvents: Water; 1 H,Cooled
标题:Preparation Of Benzoxazine Compounds As β2-Adrenoceptor Agonists
参考文献:China]

869478-09-1 = 926319-53-1
反应条件:1.1 Reagents: Bromine Catalysts: Aluminum Chloride Solvents: 1,4-Dioxane; 0 °C; 30 Min,0 °C; 0 °C -> Rt; 4 H,Rt
标题:Class Of Bifunctional Compounds With Quaternary Ammonium Salt Structure
参考文献:World Intellectual Property Organization]

869478-09-1 = 926319-53-1
反应条件:1.1 Reagents: Tetrabutylammonium Tribromide Solvents: Methanol,1,4-Dioxane; 30 Min,20 °C1.2 Reagents: Water; Cooled
标题:β2-Receptor Stimulant,Preparation Method And Application
参考文献:China]

869478-09-1 = 926319-53-1
反应条件:1.1 Reagents: Tetrabutylammonium Tribromide Solvents: Methanol,1,4-Dioxane; 2 H,20 °C
标题:Preparation Of 2H-1,4-Benzoxazin-3-Ones As Betamimetics
参考文献:World Intellectual Property Organization]

869478-09-1 = 926319-53-1
反应条件:1.1 Reagents: Tetrabutylammonium Bromide Solvents: Methanol,1,4-Dioxane; 20 °C; 2 H,20 °C1.2 Reagents: Water; 15 Min,20 °C; 20 °C -> 3 °C; 1 H,3 °C
标题:Preparation Of Substituted Benzoxazinones By Reacting Protected 8-(2R)-Oxiranyl-6-Phenylmethoxy-2H-1,4-Benzoxazin-3(4H)-Ones With Aralkylamines Followed By Hydrogenation Of Resulting Protected Benzoxazinone Intermediates
参考文献:World Intellectual Property Organization]

= 926319-53-1 [标题:Reaction Conditions
标题:Intermediates In The Preparation Of (R)-6-Hydroxy-8-{1-Hydroxy-2-[2-(4-Methoxyphenyl)-1,1-Dimethylethylamino]Ethyl}-4H-Benzo[1,4]Oxazin-3-One Hydrochloride
作者:Anonymous
参考文献:Ip.Com Journal 日期:2016 卷标:16 页码:1-12

对二乙酰氧基苯置于aluminum (Iii) Chloride,四丁基溴化铵,硝酸,铁粉,Potassium Carbonate,溶剂黄146,Potassium Iodide,Sodium Chloride体系中,用 1,4-二氧六环,甲醇,水,丙酮作为反应溶剂,化学反应 27.0H,反应生成 6-(苄氧基)-8-(2-溴乙酰基)-2H-苯并[b][1,4]噁嗪-3(4H)-酮
参考文献:β2-受体兴奋剂及其制备方法和应用
标题:β2-受体兴奋剂及其制备方法和应用
摘要:本发明涉及了游离形式,盐形式或溶剂化形式的具有β2‑受体兴奋作用的下式i化合物,其中ⅱ,ⅲ包含于r1,Ar为下式基团ⅳ,ⅴ.其中r1,R2,R3,R4,R5,R6,R7,R8,R9,R10,R13,R14,R15,R16,M和o如说明书中所定义.本发明还涉及所述化合物的制备方法以及它们作为药物的用途,尤其用于治疗呼吸系统和心血管系统方面疾病如慢性阻塞性肺病,哮喘和心衰.(ⅱ)(ⅲ)(ⅳ)(ⅴ).