35450-37-4

Basic information

• Product Name: METHYL 3-BROMO-4-METHOXYBENZOATE 98
• Synonyms: METHYL 3-BROMO-4-METHOXYBENZOATE 98;METHYL 3-BROMO-4-METHOXYBENZOATE, PURISS, 98%;3-Bromo-4-methoxybenzoic Acid Methyl Ester Methyl 3-Bromo-p-anisate 3-Bromo-p-anisic Acid Methyl Ester;4-Methoxy-3-BroMo Benzoic Acid Methyl Ester
• CAS NO: 35450-37-4
• Molecular Formula: C₉H₉BrO₃
• Molecular Weight: 245.071
• EINECS: 1312995-182-4
• Product Categories: Aromatic Esters;Acids & Esters;Anisoles, Alkyloxy Compounds & Phenylacetates;Bromine Compounds;Building Blocks;C8 to C9;Carbonyl Compounds;Chemical Synthesis;Esters;Organic Building Blocks
• Mol File: 35450-37-4.mol
• Article Data: 27

Chemical Properties

• Melting Point: 98-100 °C(lit.)
• Boiling Point: 298.1 °C at 760 mmHg
• Flash Point: 134.1 °C
• Appearance: /
• Density: 1.463 g/cm³
• Vapor Pressure: 0.00129mmHg at 25°C
• Refractive Index: 1.537
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: soluble in Toluene
• CAS DataBase Reference: METHYL 3-BROMO-4-METHOXYBENZOATE 98(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 3-BROMO-4-METHOXYBENZOATE 98(35450-37-4)
• EPA Substance Registry System: METHYL 3-BROMO-4-METHOXYBENZOATE 98(35450-37-4)

Safety Data

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45
• RIDADR: UN 2811 6.1/PG 3
• WGK Germany: 3
• Hazardous Substances Data: 35450-37-4(Hazardous Substances Data)

Usage

General Description

Methyl 3-bromo-4-methoxybenzoate 98 is a chemical compound commonly used in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. It is a colorless to pale yellow liquid with a molecular formula of C9H9BrO3 and a molecular weight of 241.07 g/mol. METHYL 3-BROMO-4-METHOXYBENZOATE 98 is often utilized as an intermediate in organic synthesis, particularly in the preparation of various esters and ethers. It is also known for its potential application in the development of new drugs or medicinally active compounds. With a purity of 98%, this chemical is considered to be of high quality and suitable for a wide range of research and industrial purposes.

InChI:InChI=1/C9H9BrO3/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5H,1-2H3

Upstream product

• 186581-53-3 diazomethane 
• 29415-97-2 methyl 3-bromo-4-hydroxybenzoate 
• 67-56-1 methanol 
• 99-58-1 3-bromo-4-methoxybenzoic acid 
• 121-98-2 methyl 4-methoxybenzoate 
• 77-78-1 dimethyl sulfate 
• 74-88-4 methyl iodide 
• 14348-41-5 3-bromo-4-hydroxy-benzoic acid 
• 7726-95-6 bromine 
• 64-19-7 acetic acid 
• 123-11-5 4-methoxy-benzaldehyde 
• 105-13-5 4-Methoxybenzyl alcohol 
• 99-76-3 methyl 4-hydroxylbenzoate 
• 34841-06-0 3-bromo-4-methoxybenzylaldehyde 

Downstream Products

• 63987-21-3 4-methoxy-3-phenoxybenzoic acid 
• 87251-19-2 2-Chloro-3-methoxy-5-(2-methoxy-5-methoxycarbonyl-phenoxy)-benzoic acid methyl ester 
• 87251-24-9 2-Chloro-5-methoxy-3-(2-methoxy-5-methoxycarbonyl-phenoxy)-benzoic acid methyl ester 
• 87251-20-5 C₁₈H₁₈O₇ 
• 99-58-1 3-bromo-4-methoxybenzoic acid 
• 165258-31-1 N,N-Diethyl-3-bromo-4-methoxybenzamide 
• 181136-33-4 3-bromo-4-methoxybenzohydrazide 
• 50772-68-4 4,3'-dimethoxy-3,4'-oxy-di-benzoic acid dimethyl ester 
• 5566-15-4 aristogin B 
• 873980-71-3 4,4'-dimethoxy-3,3'-oxy-di-benzoic acid dimethyl ester 
• 272130-65-1 3-Allyl-4-methoxy-benzoic acid methyl ester 
• 165803-83-8 3-(2-bromo-ethyl)-4-methoxy-benzoic acid methyl ester 
• 272130-71-9 3-(2-hydroxy-ethyl)-4-methoxy-benzoic acid methyl ester 
• 165801-75-2 3-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl)-ethyl]-4-methoxy-benzoic acid methyl ester 

Relevant articles and documents

Synthetic Strategies towards Imidazopyridinones and 7-Azaoxindoles and their Evaluation as Antibacterial Agents

Imidazopyridinones and 7-azaoxindoles are two classes of heterocyclic compounds with only limited previous use in organic and medicinal chemistry. Various synthetic methods and routes have been evaluated to identify safe and robust chemistry to advanced i

Electro-Oxidative Selective Esterification of Methylarenes and Benzaldehydes

A mild and green electro-oxidative protocol to construct aromatic esters from methylarenes and alcohols is herein reported. Importantly, the reaction is free of metals, chemical oxidants, bases, acids, and operates at room temperature. Moreover, the design of the electrolyte was found critical for the oxidation state and structure of the coupling products, a rarely documented effect. This electro-oxidative coupling process also displays exceptional tolerance of many fragile easily oxidized functional groups such as hydroxy, aldehyde, olefin, alkyne, as well as neighboring benzylic positions. The enantiomeric enrichment of some chiral alcohols is moreover preserved during this electro-oxidative coupling reaction, making it overall a promising synthetic tool.

Stepwise mechanism for the bromination of arenes by a hypervalent iodine reagent

A mild, metal-free bromination method of arenes has been developed using the combination of bis(trifluoroacetoxy)iodobencene and trimethylsilyl bromide. In situ-formed dibromo(phenyl)-λ3-iodane (PhIBr2) is proposed as the reactive intermediate. This methodology using PIFA/TMSBr has been applied with success to a great number of substrates (25 examples). The treatment of mono-substituted activated arenes led to para-brominated products (2u-z) in excellent 83-96% yields. Density functional theory calculations indicate a stepwise mechanism involving a double bromine addition followed by a type II dyotropic reaction with concomitant re-aromatization of the six-membered ring.