Methyl 5-bromo-2-methylbenzoate

Base Information

• Chemical Name: Methyl 5-bromo-2-methylbenzoate
• CAS No.: 79669-50-4
• Molecular Formula: C9H9BrO2
• Molecular Weight: 229.073
• Hs Code.: 2916399090
• European Community (EC) Number: 800-966-0
• NSC Number: 243705
• DSSTox Substance ID: DTXSID20311504
• Wikidata: Q72488658
• Mol file: 79669-50-4.mol

Synonyms:Methyl 5-bromo-2-methylbenzoate;79669-50-4;Methyl 5-Bromo-2-methyl-benzoate;5-bromo-2-methylbenzoic acid methyl ester;methyl5-bromo-2-methylbenzoate;5-BROMO-2-METHYL-BENZOIC ACID METHYL ESTER;MFCD09839555;BENZOIC ACID, 5-BROMO-2-METHYL-, METHYL ESTER;NSC 243705;NSC243705;methyl 4-bromo-toluate;SCHEMBL155514;methyl 3-bromo-6-methylbenzoate;DTXSID20311504;BCP04196;5-Bromo-o-toluic Acid Methyl Ester;methyl 5-bromanyl-2-methyl-benzoate;BBL103922;STL557732;AKOS014646447;AB53585;AC-7746;CS-W007619;NSC-243705;SY021478;TS-03250;5-Bromo-2-methyl benzoic acid methyl ester;A9924;AM20050409;FT-0652392;M2542;EN300-140469;A839734;J-522453;Z1259109206

Chemical Property of Methyl 5-bromo-2-methylbenzoate

Chemical Property:

• Melting Point: 46.0 to 50.0 °C
• Boiling Point: 258.9 °C at 760 mmHg
• Flash Point: 110.4 °C
• PSA: 26.30000
• Density: 1.433 g/cm³
• LogP: 2.54410
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Soluble in water.
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 227.97859
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

99% ^*data from raw suppliers

Methyl 5-bromo-2-methylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)Br)C(=O)OC
• Uses: Methyl 5-bromo-2-methylbenzoate is used as a catalytic agent, petrochemical additive

Technology Process of Methyl 5-bromo-2-methylbenzoate

There total 15 articles about Methyl 5-bromo-2-methylbenzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

methanol (67-56-1) + 5-bromo-2-methylbenzoic acid (79669-49-1) → methyl 2-methyl-5-bromobenzoate (79669-50-4)

Guidance literature:

methanol; 5-bromo-2-methylbenzoic acid; With diazomethyl-trimethyl-silane; In hexane; at 20 ℃; for 1.16667h;

With acetic acid; In hexane; for 0.75h;

Reference yield: 99.0%

5-bromo-2-methylbenzoic acid (79669-49-1) + methyl iodide (74-88-4) → methyl 2-methyl-5-bromobenzoate (79669-50-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 4h;

Reference yield: 99.0%

5-bromo-2-methylbenzoic acid (79669-49-1) + diazomethyl-trimethyl-silane (18107-18-1) → methyl 2-methyl-5-bromobenzoate (79669-50-4)

Guidance literature:

With methanol; In diethyl ether; toluene; at 0 - 20 ℃; for 1h;

upstream raw materials:

methanol

5-bromo-2-methylbenzoic acid

diazomethyl-trimethyl-silane

ortho-methylbenzoic acid

Downstream raw materials:

(5-bromo-2-methylphenyl)methanol

methyl 2-bromomethyl-5-bromobenzoate

methyl 3-bromo-2-(bromomethyl)benzoate

2-methyl-5-(pyridin-3-yl)benzoic acid

Refernces

• 1、 -. "Preparation method and application of water-soluble supramolecular organic cage compound for detecting pyridine salt substances in water". Paragraph 0064-0067; 0070. . Retrieved 2021/10/27.
• 2、 Lai, Huifang,Lin, Jin,Xu, Jiexin,Zha, Daijun. "Copper-promoted direct amidation of isoindolinone scaffolds by sodium persulfate". supporting information. p. 7621 - 7626. Retrieved 2021/09/22.