2,4-Dibromo-5-methoxytoluene

Base Information

• Chemical Name: 2,4-Dibromo-5-methoxytoluene
• CAS No.: 5456-94-0
• Molecular Formula: C8H8Br2O
• Molecular Weight: 279.959
• Hs Code.: 2909309090
• European Community (EC) Number: 673-987-4
• NSC Number: 21720
• DSSTox Substance ID: DTXSID80202984
• Nikkaji Number: J32.128A
• Wikidata: Q72464507
• Mol file: 5456-94-0.mol

Synonyms:2,4-Dibromo-5-methoxytoluene;5456-94-0;1,5-Dibromo-2-methoxy-4-methylbenzene;2,4-Dibromo-5-methylanisole;Benzene, 1,5-dibromo-2-methoxy-4-methyl-;NSC21720;SCHEMBL10122740;DTXSID80202984;CDLNHQVKSMDSAI-UHFFFAOYSA-N;MFCD00017771;NSC 21720;NSC-21720;AKOS012525263;FS-3892;1,5-dibromo-2-methoxy-4-methyl-benzene;1,5-Dibromo-2-methoxy-4-methylbenzene #;CS-0453589;FT-0635732;A830248

Chemical Property of 2,4-Dibromo-5-methoxytoluene

Chemical Property:

• Vapor Pressure: 0.00468mmHg at 25°C
• Melting Point: 74-76 °C
• Refractive Index: 1.569
• Boiling Point: 285.9 °C at 760 mmHg
• Flash Point: 114.2 °C
• PSA: 9.23000
• Density: 1.727 g/cm³
• LogP: 3.52860
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 279.89214
• Heavy Atom Count: 11
• Complexity: 129

Purity/Quality:

98%min ^*data from raw suppliers

2,4-Dibromo-5-methylanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2,4-Dibromo-5-methoxytoluene

There total 15 articles about 2,4-Dibromo-5-methoxytoluene 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:

4-bromo-3-methylphenol (14472-14-1) + dimethyl sulfate (77-78-1) → 4-bromo-3-methylanisole (27060-75-9) + 2,4-dibromo-5-methylanisole (5456-94-0) + 1-methoxy-3-methyl-benzene (100-84-5)

Guidance literature:

DOI:10.1139/v56-188

Reference yield:

(4-methoxy-2-methylphenyl)methanol (52289-55-1) → 2,4-dibromo-5-methylanisole (5456-94-0) + 2,4-dibromo-3-methylanisole

Guidance literature:

With lithium bromide monohydrate; [bis(acetoxy)iodo]benzene; In 2,2,2-trifluoroethanol; at 20 ℃; for 1h; regiospecific reaction;

DOI:10.1055/s-0037-1610980

Reference yield:

1-methoxy-3-methyl-benzene (100-84-5) → 2,4-dibromo-5-methylanisole (5456-94-0)

Guidance literature:

With bromine; acetic acid;

upstream raw materials:

5-bromo-4-methoxy-2-methylbenzenamine

5-bromo-2-methoxy-4-methyl-aniline

2,4-dibromo-5-methylphenol

dimethyl sulfate

Downstream raw materials:

2,4-Dibrom-5-methoxybenzylbromid

1-(2-Methoxy-4-methyl-5-bromphenyl)-cyclopenten

2,4,6-tribromo-m-cresol

Bis-(2,4-dibrom-5-methoxybenzyl)malonsaeure-diethylester

Refernces

• 1、 Dumanski, Paul G.,Easton, Christopher J.,Lincoln, Stephen F.,Simpson, Jamie S.. "Effect of cyclodextrins on electrophilic aromatic bromination in aqueous solution". . p. 1107 - 1111. Retrieved 2007/10/03.