CAS: 102293-80-1; 2-Bromo-1-(2,2-Dimethyl-4H-Benzo[d][1,3]Dioxin-6-yl)Ethanone

该化合物是有机化合物,其结构复杂,包括溴原子和苯并二恶英混合物,具有有机化合物特征,具有氯酮功能组,有助于其在有机合成中的再活性和潜在应用;溴原子的存在增强了其电益特性,使其在各种替代反应中有用;苯并二恶英环上的2-2二甲基替代物具有消毒障碍,影响其再活性和稳定性;该化合物由于其独特的结构特征,可能展现出有趣的生物活动,使其成为医学化学领域进一步研究的候选体;此外,其溶解性和不同溶剂的稳定性也各不相同,这对实验室环境中的处理和应用非常重要.

英文名称2-Bromo-1-(2,2-Dimethyl-4H-Benzo[d][1,3]Dioxin-6-yl)Ethanone
中文名称6-溴乙酰基-2,2-二甲基-4H-苯并[1,3]二噁英
IUPAC名称2-bromo-1-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)ethan-1-one
其它别名2-溴-1-(2,2-二甲基-4H-1,3-苯并二恶英-6-基)乙酮; 2-Bromo-1-(2,2-Dimethyl-4H-1,3-Benzodioxin-6-yl)-Ethanone
CAS编号102293-80-1
MFCD编号:MFCD26385854
EINECS号:811-501-6
分子式:C12H13BrO3
分子量:285.13
产品CID: 50868
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: SJYXUPGLQCUYJS-UHFFFAOYSA-N
InChI=1S/C12H13BrO3/c1-12(2)15-7-9-5-8(10(14)6-13)3-4-11(9)16-12/h3-5H,6-7H2,1-2H3…
计算化学: 氢键受体数3.0氢键供体数0.0可旋转键数2.0

相似化合物

54030-34-1 54030-33-0 71780-43-3

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)
警示词Warning(警告)
危险描述H302 |吞咽有害.
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501
危险等级6.1
UN编号2811.0
危险品标志T+
包装等级Ⅲ

欧盟法规

C&L通报

上下游产品

合成工艺路线路线简述

合成目标产物 2-Bromo-1-(2,2-Dimethyl-4H-Benzo[d][1,3]Dioxin-6-yl)Ethanone 主要起始原料 2,2-Dimethoxypropane And 2-Bromo-1-[4-Hydroxy-3-(Hydroxymethyl)Phenyl]Ethan-1-One
(文献来源)合成步骤主要原料 2,2-Dimethoxypropane 和 2-Bromo-1-[4-Hydroxy-3-(Hydroxymethyl)Phenyl]Ethan-1-One

4-羟基-3-羟甲基苯乙酮二乙酸酯置于polyvinylpyridinium Bromide Perbromide Resin,Resin-So3H,氢溴酸体系中,用四氢呋喃,二氯甲烷用作溶剂,化学反应生成2-溴-1-(2,2-二甲基-4H-1,3-苯并二噁英-6-基)乙酮
参考文献:Synthesis Of The β2 Agonist (R)-Salmeterol Using A Sequence Of Supported Reagents And Scavenging Agents
标题:Synthesis Of The β2 Agonist (R)-Salmeterol Using A Sequence Of Supported Reagents And Scavenging Agents
摘要:Graphicthe Enantioselective Synthesis Of (R)-Salmeterol Has Been Achieved By Using A Sequence Of Supported Reagents And Sequestering Agents. The Saligenin Core Was Installed By A Regiospecific Alkylation And A Chiral Auxiliary Approach Was Employed To Introduce The Desired Stereochemistry Via A Diastereoselective Reduction.
Doi:10.1021/ol020128G

专利信息

专利号:WO-2023097678-A1
优先权日:2021-12-03
标题:Method for synthesizing (r)-5-(2,2-dimethyl-4h-benzo[d][1,3]dioxin-6-yl)oxazolidin-2-one
发明人：ZHOU ZHANGTAO; YE WEIPING; PHILLIS ANDREW TOROA; XU LI; HUANG ZHINING; FU LI
权利人:GUANGDONG RAFFLES PHARMATECH CO LTD
摘要:A method for synthesizing (R)-5-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)oxazolidin-2-one. The synthesis route of the method is: where X is Br, Cl or I, preferably Br. Preferably, chiral phenyloxazolidin-2-one is prepared from a 2-bromoacetophenone compound in a high-selectivity manner by means of protection, nucleophilic attack, asymmetric transfer hydrogenation, and finally CDI ring closing.