Methyl 3,5-dibromo-4-methylbenzoate

Base Information

• Chemical Name: Methyl 3,5-dibromo-4-methylbenzoate
• CAS No.: 74896-66-5
• Molecular Formula: C9H8Br2O2
• Molecular Weight: 307.969
• Hs Code.: 2916399090
• European Community (EC) Number: 616-164-7
• DSSTox Substance ID: DTXSID10347630
• Nikkaji Number: J410.676H
• Wikidata: Q72489980
• Mol file: 74896-66-5.mol

Synonyms:Methyl 3,5-dibromo-4-methylbenzoate;74896-66-5;3,5-Dibromo-4-methylbenzoic Acid Methyl Ester;Methyl 3,5-Dibromo-p-toluate;methyl 3,5-dibromo-4-methyl-benzoate;3,5-Dibromo-p-toluic Acid Methyl Ester;SCHEMBL1070461;DTXSID10347630;BBL018957;MFCD00010729;STL119724;AKOS005133995;PS-7095;BB 0246906;CS-0179383;D2871;FT-0614519;3,5-Dibromo-4-methyl-benzoic acid methyl ester;A838256

Chemical Property of Methyl 3,5-dibromo-4-methylbenzoate

Chemical Property:

• Appearance/Colour: light brown or cream-colored crystal
• Vapor Pressure: 0.000478mmHg at 25°C
• Melting Point: 88-90 °C
• Refractive Index: 1.575
• Boiling Point: 314 °C at 760 mmHg
• Flash Point: 143.7 °C
• PSA: 26.30000
• Density: 1.75 g/cm³
• LogP: 3.30660
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 307.88706
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl 3,5-Dibromo-4-methylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1Br)C(=O)OC)Br

Technology Process of Methyl 3,5-dibromo-4-methylbenzoate

There total 2 articles about Methyl 3,5-dibromo-4-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: 76.6%

4-methyl-benzoic acid methyl ester (99-75-2) → Methyl 3,5-Dibromo-4-methylbenzoate (74896-66-5)

Guidance literature:

With aluminum (III) chloride; bromine; In dichloromethane; at 15 - 25 ℃; for 20h; Solvent;

Reference yield:

→ Methyl 3,5-Dibromo-4-methylbenzoate (74896-66-5)

Guidance literature:

p-Toluoyl-chlorid 1) AlCl3, Br2 2) Methanol ; vgl. 'General procedure' S.3148;

Reference yield: 99.0%

Methyl 3,5-Dibromo-4-methylbenzoate (74896-66-5) → methyl 3,5-dibromo-4-(bromomethyl)benzoate (444663-80-3)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; for 24h; Heating / reflux;

upstream raw materials:

4-methyl-benzoic acid methyl ester

Downstream raw materials:

methyl 3,5-dimethoxy-4-methylbenzoate

methyl 3,5-dibromo-4-(bromomethyl)benzoate

3,5-dibromo-4-[(4-methoxy-benzylamino)-methyl]-benzoic acid methyl ester

methyl 5-bromo-1-(2,6-dichlorophenyl)-3-(4-methoxybenzyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate

Refernces

• 1、 Manchand, Percy S.,Townsend, John M.,Belica, Peter S.,Wong, Harry S.. "A Convenient Synthesis of 3,5-Dimethoxy-4-methylbenzoic Acid". . p. 409 - 410. Retrieved 2007/10/02.