CAS: 90002-36-1; 2-Ethylphenylboronic Acid

该化合物是一种有机有机体化合物,其特点是附于2-乙基替代苯环的有机酸功能组,该化合物一般是白色的,可溶于极有机溶剂,如乙醇和甲醇,但水中的溶解性有限.溴酸组(-B(OH)2)因其与二醇形成可逆共价联系的能力而闻名,使其在各种应用中有用,包括有机合成和药用化学. 2-乙基苯乙酸可参与铃木的组合反应,这对在复合有机分子合成中构建碳-碳联系很有价值.此外,其结构特征可能会给化学反应带来独特的再活性和选择性,使其在制药和农用化学开发中成为有用的建筑块.正确处理和储存是关键因素,因为丁酸与水分和其他功能组具有潜在的再活性.

英文名称2-Ethylphenylboronic Acid
中文名称(2-乙基苯基)硼酸
IUPAC名称(2-ethylphenyl)boronic acid
其它别名2-乙基苯基硼酸; 2乙基苯硼酸; 2-Ethylphenylboronic Acid
CAS编号90002-36-1
MFCD编号:MFCD02093075
EINECS号:677-274-9
分子式:C8H11BO2
分子量:149.98
产品CID: 1930532
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: QSSPYZOSTJDTTL-UHFFFAOYSA-N
InChI=1S/C8H11BO2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6,10-11H,2H2,1H3…
计算化学: 氢键受体数2.0氢键供体数2.0可旋转键数2.0

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别皮肤腐蚀/刺激类别2
严重眼刺激类别2
警示词Warning(警告)
危险描述H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
危险等级IRRITANT
UN编号NONH for all modes of transport
危险品标志Xi
安全声明26-36-36/37-37
危险类别码36/37/38
WGK Germany3

欧盟法规

C&L通报

上下游产品

合成工艺路线路线简述

1973-22-4 = 90002-36-1
反应条件:1.1 Reagents: Tert-Butyllithium Solvents: Pentane,Tetrahydrofuran; 2 H,-78 °C1.2 Reagents: Triisopropyl Borate Solvents: Tetrahydrofuran; -78 °C; -78 °C -> Rt; Overnight,Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; 30 Min,Rt1.4 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; 30 Min,Rt1.5 Reagents: Hydrochloric Acid Solvents: Water; Acidified,Rt
标题:9,10-Diarylanthracenes As Molecular Switches: Syntheses,Properties,Isomerizations And Their Reactions With Singlet Oxygen
作者:Zehm,Daniel; Fudickar,Werner; Hans,Melanie; Schilde,Uwe; Kelling,Alexandra; Et Al
参考文献:Chemistry - A European Journal 日期:2008 卷标:14(36) 页码:11429-11441]

= 90002-36-1
反应条件:1.1 Reagents: Tributyl Borate,Magnesium Catalysts: Iodine Solvents: Tetrahydrofuran; 1 H,Reflux; Reflux -> 30 °C; 2 H,30 °C1.2 Reagents: Sulfuric Acid Solvents: Water; 10 Min,Rt
标题:Improvement On Synthesis Of Different Alkyl-Phenylboronic Acid
作者:Deng,Yan; Zhang,Yongqiang; Jiang,Huanmei; Xu,Lijian; Liu,Hongna; Et Al
参考文献:Journal Of Biomedical Nanotechnology 日期:2009 卷标:5(5) 页码:551-556]

= 90002-36-1
反应条件:1.1 Solvents: Acetonitrile-D3,Water-D2; 24 H,Rt
标题:Fast And Tight Boronate Formation For Click Bioorthogonal Conjugation
作者:Akgun,Burcin; Hall,Dennis G.
参考文献:Angewandte Chemie 日期:2016 卷标:55(12) 页码:3909-3913]

1973-22-4 = 90002-36-1
反应条件:1.1 Reagents: Magnesium Solvents: Tetrahydrofuran1.2 -1.3 Solvents: Water
标题:Design,Synthesis,And Structure-Activity Relationships Of A Series Of 3-[2-(1-Benzylpiperidin-4-Yl)Ethylamino]Pyridazine Derivatives As Acetylcholinesterase Inhibitors
作者:Contreras,Jean-Marie; Parrot,Isabelle; Sippl,Wolfgang; Rival,Yveline M.; Wermuth,Camille G.
参考文献:Journal Of Medicinal Chemistry 日期:2001 卷标:44(17) 页码:2707-2718]

18282-40-1 = 90002-36-1
反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran; 1 H,-80 °C1.2 Reagents: Trimethyl Borate; -80 °C -> Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; 30 Min,Rt
标题:Enantioselective Double Carbonylation Enabled By High-Valent Palladium Catalysis
作者:Han,Jian; Xiao,Bo; Sun,Tian-Yu; Wang,Min; Jin,Long; Et Al
参考文献:Journal Of The American Chemical Society 日期:2022 卷标:144(47) 页码:21800-21807]

18282-40-1 = 90002-36-1
反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran,Hexane; -78 °C; 1 H,-78 °C1.2 Reagents: Trimethyl Borate; -78 °C; 1 H,-78 °C; -78 °C -> Rt1.3 Reagents: Hydrochloric Acid Solvents: Water
标题:Divergent Synthesis Of Bisphenols And Diaryl Ethers By Metal Compatible Organocatalytic Aerobic Oxidation Of Boronic Acids
作者:Gennaiou,Kyriaki; Petsi,Marina; Kakarikas,Basil; Iordanidis,Nikos; Zografos,Alexandros L.
参考文献:Advanced Synthesis & Catalysis 日期:2022 卷标:364(17) 页码:3059-3065]

1973-22-4 = 90002-36-1
反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran,Hexane; 3 H,-78 °C1.2 Reagents: Triisopropyl Borate Solvents: Tetrahydrofuran; 2 H,-78 °C; 2 H,Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; Rt
标题:Structure,Conformation,And Dynamic Processes Of The Stereolabile Atropisomers Of Hindered Terphenyl Hydrocarbons
作者:Lunazzi,Lodovico; Mazzanti,Andrea; Minzoni,Mirko; Anderson,J. Edgar
参考文献:Organic Letters 日期:2005 卷标:7(7) 页码:1291-1294

乙基溴苯置于magnesium,硼酸三异丙酯,水体系中,用四氢呋喃作为反应溶剂,化学反应 51.0H,以80%的收率获得产物2-乙基苯硼酸
参考文献:设计,合成,和结构活性关系的一系列3-[2-(1-苄基哌啶-4-基)乙基氨基]哒嗪衍生物作为乙酰胆碱酯酶抑制剂.
标题:设计,合成,和结构活性关系的一系列3-[2-(1-苄基哌啶-4-基)乙基氨基]哒嗪衍生物作为乙酰胆碱酯酶抑制剂.
摘要:从3-[2-(1-苄基哌啶-4-基)乙基氨基]-6-苯基哒嗪1开始,我们进行了一系列作为ache抑制剂的哒嗪类似物的设计,合成和结构-活性关系.在化合物1的四个不同部分进行了结构修饰,得出以下结论:(i)在哒嗪环的c-5位引入亲脂性环境有利于ache抑制活性和ache / Buche选择性; (II)c-6苯基的取代和各种取代是可能的,并导致等同或稍微活性更高的衍生物;(iii)苄基哌啶部分的等排取代或修饰对活性是有害的.在所有准备好的衍生物中,茚并哒嗪衍生物4G被发现是更有效的抑制剂,在电鳗ache上的ic(50)为10 Nm.与化合物1相比,其效力提高了12倍.此外,Ic [50]为21 Nm的3-[2-(1-苄基哌啶-4-基)乙基氨基]-5-甲基-6-苯基哒嗪4C对人ache的选择性高100倍(人buche / Ache之比为24)比参比他克林.
DOI:10.1021/jm001088U

海关参考信息

2902600000-乙苯
2901100000-饱和无环烃
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专利信息

专利号:WO-2017193288-A1
优先权日:2016-05-10
标题:Synthesis of phosphine ligands bearing tunable linkage: methods of their use in catalysis
发明人：KWONG FUK YEE; CHOY PUI YING; WU YINUO; YANG QINGJING
权利人:THE HONG KONG POLYTECHNIC UNIV SHENZHEN RESEARCH INSTITUTE
摘要:A series of novel linked indolyl phosphine ligands for transition metals, the synthesis thereof and their use in catalytic coupling reactions are provided. The ligands provide improvements of trasition-metal-catalyzed reactions, including the range of substrates scope, reaction conditions and efficieny.

专利号:US-12098126-B2
优先权日:2021-08-23
标题:Methods of iron catalyzed C-H bond amination
发明人：CHE CHI-MING; YOU TINGJIE
权利人:VERSITECH LTD; LABORATORY FOR SYNTHETIC CHEMISTRY AND CHEMICAL BIOLOGY LTD
摘要:Described herein is an iron(II)-phthalocyanine catalyzed Câ€”H bond amination of alkyl azides. The catalyst is effective to produce intramolecular amination of saturated Câ€”H bonds in moderate to excellent yields and the methods are tolerant of a wide scope of substrates. The methods described are useful for the synthesis of natural products derivatives and for the late-stage functionalization of pharmaceuticals.

专利号:WO-9800398-A1
优先权日:1996-06-28
标题 :Method for the synthesis of amines and amino acids with organoboron derivatives

专利号:WO-03101601-A2
优先权日:2002-06-04
标题:Cross-coupling synthesis of alkyl (dialkylphenyl) indenes

专利号:EP-0923544-B1
优先权日:1996-06-28
标题:Method for the synthesis of amines and amino acids with organoboron derivatives

专利号:EP-0923544-A1
优先权日:1996-06-28
标题:Method for the synthesis of amines and amino acids with organoboron derivatives

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合成参考文献

参考文献:10.1055/s-0029-1216818|10.1055/s-0029-1216988
摘要:Ogasawara M, Watanabe S. Transition-Metal-Catalyzed Enantioselective Synthesis of Compounds with Non-Centrochirality. Synthesis. 2009 May 14;2009(11):1761–85. doi: 10.1055/s-0029-1216818.