1-Bromo-2-methoxy-3,5-dimethylbenzene

Base Information

• Chemical Name: 1-Bromo-2-methoxy-3,5-dimethylbenzene
• CAS No.: 65492-45-7
• Molecular Formula: C9H11BrO
• Molecular Weight: 215.09
• DSSTox Substance ID: DTXSID30497000
• Nikkaji Number: J1.399.974K
• Wikidata: Q82346250
• Mol file: 65492-45-7.mol

Synonyms:1-Bromo-2-methoxy-3,5-dimethylbenzene;65492-45-7;Benzene, 1-bromo-2-methoxy-3,5-dimethyl-;SCHEMBL5085895;DTXSID30497000;MFCD16309014;AKOS005158679;AB91664;CS-0194658;E91124

Chemical Property of 1-Bromo-2-methoxy-3,5-dimethylbenzene

Chemical Property:

• Boiling Point: 107-108 °C(Press: 5 Torr)
• PSA: 9.23000
• Density: 1.342 g/cm3
• LogP: 3.07450
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 213.99933
• Heavy Atom Count: 11
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

1-Bromo-2-methoxy-3,5-dimethylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)Br)OC)C

Technology Process of 1-Bromo-2-methoxy-3,5-dimethylbenzene

There total 4 articles about 1-Bromo-2-methoxy-3,5-dimethylbenzene 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: 25.6%

2,4-dimethylanisole (6738-23-4) → 1-bromo-2-methoxy-3,5-dimethylbenzene (65492-45-7)

Guidance literature:

With bromine; acetic acid; iron; at 50 ℃; for 5h;

DOI:10.1002/ps.2780410210

Reference yield:

2,4-Xylenol (105-67-9) → 1-bromo-2-methoxy-3,5-dimethylbenzene (65492-45-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / NaH / dimethylformamide / 5 h / 20 °C

2: 25.6 percent / Br₂; acetic acid / Fe / 5 h / 50 °C

With bromine; sodium hydride; acetic acid; iron; In N,N-dimethyl-formamide; 1: Methylation / 2: Bromination;

DOI:10.1002/ps.2780410210

Reference yield:

2-bromo-4,6-dimethylphenol (15191-36-3) + methyl iodide (74-88-4) → 1-bromo-2-methoxy-3,5-dimethylbenzene (65492-45-7)

Guidance literature:

With sodium methylate;

DOI:10.1021/ja01395a032

upstream raw materials:

2-bromo-4,6-dimethylphenol

dimethyl sulfate

methyl iodide

2,4-dimethylanisole

Downstream raw materials:

(2-methoxy-3,5-dimethyl-phenyl)-(2-methoxy-phenyl)-ether

2-Methoxy-3,5-dimethylbenzoic acid

(2-Methoxy-3,5-dimethyl-phenyl)-phenyl-sulfid

2',3-Dimethoxy-3',4'-dimethyl-diphenylaether-4-carbonsaeure

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