CAS: 452339-72-9; Tert-Butyl (R)-(2-(2,2-Dimethyl-4H-Benzo[d][1,3]Dioxin-6-yl)-2-Hydroxyethyl)Carbamate

该化合物是一种化学化合物,其特点是结构复杂,包括一个三丁基化合物组,一个苯二恶英混合物和一个氨基甲酸功能组,该化合物一般用于制药和化学研究,因其潜在的生物活动,该化合物的存在表明它可能在极地溶剂中表现出溶解性,而乙丁基乙基化合物组则可以增强脂性,有可能影响其药用植物基因特性.苯二恶英结构可能有助于与生物目标的具体互动,使其对药用化学感兴趣.此外,2R)的命名表明,该化合物具有特定的三维安排,这对于其生物活动以及与酶或受体的相互作用至关重要.

英文名称Tert-Butyl (R)-(2-(2,2-Dimethyl-4H-Benzo[d][1,3]Dioxin-6-yl)-2-Hydroxyethyl)Carbamate
中文名称(2R)-N-(2-(2,2-二甲基-4H-1,3-苯并二恶英-6-基)-2-羟基乙基)氨基甲酸叔丁酯
IUPAC名称tert-butyl (R)-(2-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2-hydroxyethyl)carbamate
其它别名Carbamic Acid, [(2R)-2-(2,2-Dimethyl-4H-1,3-Benzodioxin-6-Yl)-2-Hydroxyethyl]-, 1,1-Dimethylethyl Ester; Tert-Butyl (2R)-2-(2,2-Dimethyl-4H-1,3-Benzodioxin-6-Yl)-2-Hydroxyethylcarbamate; (R)-Tert-Butyl (2-(2,2-Dimethyl-4H-Benzo[d][1,3]Dioxin-6-Yl)-2-Hydroxyethyl)Carbamate; Carbamic Acid, [(2R)-2-(2,2-Dimethyl-4H-1,3-Benzodioxin-6-Yl)-2-Hydroxyethyl]-, 1,1-Dimethylethyl Ester (9Ci); Carbamic Acid, N-[(2R)-2-(2,2-Dimethyl-4H-1,3-Benzodioxin-6-Yl)-2-Hydroxyethyl]-, 1,1-Dimethylethyl Ester; Tert-Butyl (2R)-2-(2,2-Dimethyl-4H-1,3-Benzodioxin-6-Yl)-2-H...; (R)-Tert-Butyl (2-(2,2-Dimethyl-4H-Benzo[d][1,3]Dioxin-6-Yl)-2-Hydroxyethyl)Carbamateq: What Is (R)-Tert-Butyl (2-(2,2-Dimethyl-4H-Benzo[d][1,3]Dioxin-6-Yl)-2-Hydroxyethyl)Carbamate Q: What Is The Cas Number Of (R)-Tert-Butyl (2-(2,2-Dimethyl-4H-Benzo[d][1,3]Dioxin-6-Yl)-2-Hydroxyethyl)Carbamate
CAS编号452339-72-9
MFCD编号:MFCD28347558
EINECS号:884-683-8
分子式:C17H25NO5
分子量:323.39
产品CID: 1456930
产品分类有机原料 → 有机杂环化合物 → 苯并二恶烷

相似结构搜索
InChIKey: XBKHRWZUBFHWJU-ZDUSSCGKSA-N
InChI=1S/C17H25NO5/c1-16(2,3)23-15(20)18-9-13(19)11-6-7-14-12(8-11)10-21-17(4,5)22-14/h6-8,13,19H,9-10H2,1-5H3,(H,18,20)/t13-/m0/s1…
计算化学: 氢键受体数5.0氢键供体数2.0可旋转键数5.0

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)
皮肤腐蚀/刺激类别2
严重眼刺激类别2
特定目标器官毒性 - 单次接触类别3
警示词Warning(警告)
危险描述H302 |吞咽有害.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
H335 |可能引起呼吸道刺激.

欧盟法规

C&L通报

上下游产品

CAS号452339-73-0 2-恶唑烷酮, 5-(2,2-...

合成工艺路线路线简述

合成目标产物 Carbamic Acid, [(2R)-2-(2,2-Dimethyl-4H-1,3-Benzodioxin-6-yl)-2-Hydroxyethyl]-, 1,1-Dimethylethyl Ester 主要起始原料 Tert-Butyl (2-(2,2-Dimethyl-4H-Benzo[d][1,3]Dioxin-6-yl)-2-Oxoethyl)Carbamate
(文献来源)合成步骤主要原料 Tert-Butyl (2-(2,2-Dimethyl-4H-Benzo[d][1,3]Dioxin-6-yl)-2-Oxoethyl)Carbamate

2-溴-1-(2,2-二甲基-4H-1,3-苯并二噁英-6-基)乙酮置于硼烷四氢呋喃络合物,Borrole,(R)-Tetrahydro-1-Me-3,3-Ph2-1H,3H-Pyrrolo[1,2-C][1,3-2]Oxaza,Caesium Carbonate,三氟乙酸体系中,用二氯甲烷,甲苯,乙腈作为反应溶剂,化学反应 30.0H,反应生成 (R)-叔丁基(2-(2,2-二甲基-4H-苯并[d][1,3]二恶英-6-基)-2-羟乙基)
参考文献:Potassium Trimethylsilanolate Induced Cleavage Of 1,3-Oxazolidin-2-And 5-Ones,And Application To The Synthesis Of (R)-Salmeterol
标题:Potassium Trimethylsilanolate Induced Cleavage Of 1,3-Oxazolidin-2-And 5-Ones,And Application To The Synthesis Of (R)-Salmeterol
摘要:描述了一种使用四氢呋喃中的三甲基硅醇钾裂解1,3-噁唑烷-5-酮和1,3-噁唑烷-2-酮的便捷高效方法.在反应条件下,苄氧羰基保护基易于脱除,而n-苯甲酰基则保持稳定.文中还描述了以2-噁唑烷酮环作为乙醇胺片段保护基合成(R)-沙美特罗的方法.
DOI:10.1039/b212454H

海关参考信息

2902600000-乙苯
2905122000-异丙醇
2905143000-叔丁醇
2906210000-苄醇
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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.