CAS: 79669-50-4; Methyl 5-Bromo-2-Methyl-Benzoate

该化合物是一种含有分子式C10H11BRO2的溴化芳烃酯,该化合物在有机合成中,特别是在制药和农用化学应用中,是一个多用途的中间体,其主要优势包括:一个稳定的酯类,有利于进一步功能化,以及溴和甲基替代成分的存在,从而能够有选择地进行交叉反应,如铃木或静态结合.甲基酯会提高普通有机溶剂的溶性,简化净化和处理.有了明确界定的再活动特征,该化合物适合于构建复杂的分子框架.该化合物的特点通常是高纯度(>97%)和连续的批到批次再加工,确保合成工作流程的可靠性能.

英文名称Methyl 5-Bromo-2-Methyl-Benzoate
中文名称2-甲基-5-溴苯甲酸甲酯
IUPAC名称methyl 5-bromo-2-methylbenzoate
其它别名5-溴-2-甲基苯甲酸甲酯; Methyl 5-Bromo-O-Toluate
CAS编号79669-50-4
MFCD编号:MFCD09839555
EINECS号:800-966-0
分子式:C9H9BrO2
分子量:229.07
产品CID: 1790748
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: FDCYLMYCHALQJR-UHFFFAOYSA-N
InChI=1S/C9H9BrO2/c1-6-3-4-7(10)5-8(6)9(11)12-2/h3-5H,1-2H3…
计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数1.0

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
特定目标器官毒性 - 单次接触类别3
严重眼刺激类别2A
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.
H335 |可能引起呼吸道刺激.
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
危险品标志Xi
安全声明H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body

欧盟法规

ECHA物质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 Methyl 5-Bromo-2-Methyl-Benzoate 主要起始原料 Methanol And 5-Bromo-2-Methylbenzoic Acid
89-71-4 = 79669-50-4
反应条件:1.1 Reagents: Bromine
标题:A Method For Manufacturing Bromobenzenes By Regioselective Bromination Of Benzene Derivatives
参考文献:Japan]

118-90-1 = 79669-50-4
反应条件:1.1 Reagents: Iron,Bromine2.1 Reagents: Sulfuric Acid
标题:Series Of Structural And Functional Models For The Es (Enzyme-Substrate) Complex Of The Co(Ii)-Containing Quercetin 2,3-Dioxygenase
作者:Sun,Ying-Ji; Et Al
参考文献:Inorganic Chemistry 日期:2014 卷标:53(6) 页码:2932-2942]

79669-49-1 = 79669-50-4
反应条件:1.1 Reagents: Potassium Carbonate Solvents: Acetone; 5 Min,Rt; 2 H,Rt -> Reflux
标题:Bromine Isotopic Signature Facilitates De Novo Sequencing Of Peptides In Free-Radical-Initiated Peptide Sequencing (Frips) Mass Spectrometry
作者:Nam,Jungjoo; Et Al
参考文献:Journal Of Mass Spectrometry 日期:2015 卷标:50(2) 页码:378-387]

118-90-1 = 79669-50-4
反应条件:1.1 Reagents: Iron Chloride (Fecl3),Bromine; 0 °C2.1 Reagents: Sulfuric Acid,3-Bromo-2-Methylbenzoic Acid Solvents: Methanol; 24 H,Reflux
标题:Synthesis,Computational,And Spectroscopic Analysis Of Tunable Highly Fluorescent Bn-1,2-Azaborine Derivatives Containing The N-Boh Moiety
作者:Saint-Louis,Carl Jacky; Et Al
参考文献:Organic & Biomolecular Chemistry 日期:2017 卷标:15(48) 页码:10172-10183

邻甲基苯甲酸甲酯置于溴,Potassium Carbonate体系中,用甲醇,水作为反应溶剂,化学反应生成 2-甲基-5-溴苯甲酸甲酯
参考文献:Triazolone Derivatives,Use Thereof,And Intermediates Therefor
标题:Triazolone Derivatives,Use Thereof,And Intermediates Therefor
摘要:Triazolone衍生物的化学式如下: 其中r1代表可选择取代的c1-10烷基,A1-l1-,A1-on═ca2等;r2代表氢,C1-6烷基等;r3代表c1-6烷氧基等;t,U和v中的一个代表cr4,另一个代表ch或氮,剩下的一个代表cr5或氮;w代表cr6或氮.

海关参考信息

2906210000-苄醇
2912110000-甲醛
2912210000-苯甲醛
2915110000-甲酸
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-12344592-B2
优先权日:2020-01-17
标题 :Methods, processes and intermediates for preparing chroman compounds
发明人：KAMBOJ RAJENDER KUMAR; PADIYA KAMLESH JYOTINDRA; PRABAKARAN KAMALAKANNAN; NAIK KUMAR RAM; RAJESH BHAVANI SHANKAR; RAJENDRA GANPATI POWAR; SACHIN SUBHASH INGAWALE; AMIT DATTATRAY KARCHE; SANTOSHKUMAR SHANKAR DANGE; SITARAM RAMBHAU BARVE
权利人:LUPIN LTD
摘要:This disclosure describes an economical and scalable method and process to synthesize the Calcium sensing receptor (CaSR) modulating agent 2-methyl-5-((2R,4S)-2-((((R)-1-(naphthalen-1-yl)ethyl)amino)methyl)chroman-4-yl)benzoic acid, its intermediates and pharmaceutically acceptable salts therefor. Uses of said intermediates for synthesis of compounds which may be intermediates to the synthesis of 2-methyl-5-((2R,4S)-2-((((R)-1-(naphthalen-1-yl)ethyl)amino)methyl)chroman-4-yl)benzoic acid are also described herein.

专利号:CN-112778125-A
优先权日:2021-02-01
标题:A kind of aryl phenolic compound and its synthesis method and application