1-Bromo-3-methoxy-5-methylbenzene

Base Information

• Chemical Name: 1-Bromo-3-methoxy-5-methylbenzene
• CAS No.: 29578-83-4
• Molecular Formula: C8H9BrO
• Molecular Weight: 201.063
• Hs Code.: 2909309090
• European Community (EC) Number: 676-359-8
• DSSTox Substance ID: DTXSID40443391
• Wikidata: Q72446597
• Mol file: 29578-83-4.mol

Synonyms:1-BROMO-3-METHOXY-5-METHYLBENZENE;29578-83-4;3-Bromo-5-methylanisole;3-Bromo-5-methoxytoluene;Benzene, 1-bromo-3-methoxy-5-methyl-;5-BROMO-3-METHOXYTOLUENE;MFCD08061916;1-bromo-3-methoxy-5-methyl-benzene;3-methoxy-5-bromotoluene;SCHEMBL388060;3-Methoxy-5-methylbromobenzene;1-Bromo-3-methoxy-5-methylbenzene3-bromo-5-methoxytoluene;DTXSID40443391;AOEVRCZZWJWKPG-UHFFFAOYSA-N;CL8953;AKOS015890086;AB43364;AM61439;CS-W007784;AC-25923;DS-13605;SY038936;B3526;FT-0638864;1-bromo-3-methoxy-5-methylbenzene, AldrichCPR;EN300-256203;J-017570

Chemical Property of 1-Bromo-3-methoxy-5-methylbenzene

Chemical Property:

• Appearance/Colour: colorless oil
• Vapor Pressure: 0.111mmHg at 25°C
• Melting Point: 52℃
• Refractive Index: 1.535
• Boiling Point: 228.441 °C at 760 mmHg
• Flash Point: 103.058 °C
• PSA: 9.23000
• Density: 1.378 g/cm³
• LogP: 2.76610
• Storage Temp.: Refrigerator
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 199.98368
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

97% ^*data from raw suppliers

3-Bromo-5-methylanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Bromo-3-methoxy-5-methylbenzene

There total 13 articles about 1-Bromo-3-methoxy-5-methylbenzene 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: 100.0%

3-bromo-5-methylphenol (74204-00-5) + methyl iodide (74-88-4) → 3-bromo-5-methoxytoluene (29578-83-4)

Guidance literature:

With potassium carbonate; In acetone; at 40 ℃; for 16h; Temperature;

Reference yield: 99.0%

3-bromo-5-methylphenol (74204-00-5) + dimethyl sulfate (77-78-1) → 3-bromo-5-methoxytoluene (29578-83-4)

Guidance literature:

With potassium carbonate; In acetone; for 4h; Heating;

Reference yield: 95.0%

4-bromo-2-methoxy-6-methyl-phenylamine (348169-39-1) → 3-bromo-5-methoxytoluene (29578-83-4)

Guidance literature:

4-bromo-2-methoxy-6-methyl-phenylamine; With hydrogenchloride; sodium nitrite; In water; acetic acid; at 0 ℃; for 0.5h;

With hypophosphorous acid; In water; acetic acid; at 0 - 20 ℃;

upstream raw materials:

3-bromo-5-methylphenol

dimethyl sulfate

3-methoxy-5-methylphenylamine

4-bromo-2-methoxy-6-methyl-phenylamine

Downstream raw materials:

3-Methoxy-5-methylpropiophenon

2-tert-butyl-5-methylanisole

3-bromo-5-methoxybenzoic acid

2-fluoro-6-(3-hydroxy-5-methyl-benzenesulfonyl)-benzonitrile