1-Bromo-2,4-dimethoxy-5-methylbenzene

Base Information

• Chemical Name: 1-Bromo-2,4-dimethoxy-5-methylbenzene
• CAS No.: 19345-87-0
• Molecular Formula: C9H11 Br O2
• Molecular Weight: 231.089
• NSC Number: 156948
• DSSTox Substance ID: DTXSID60303145
• Wikidata: Q82048290
• Mol file: 19345-87-0.mol

Synonyms:1-bromo-2,4-dimethoxy-5-methylbenzene;19345-87-0;Benzene,1-bromo-2,4-dimethoxy-5-methyl-;NSC156948;SCHEMBL3297985;DTXSID60303145;MFCD30673783;NSC-156948;CS-0191538;E80338;EN300-311703

Chemical Property of 1-Bromo-2,4-dimethoxy-5-methylbenzene

Chemical Property:

• Vapor Pressure: 0.0102mmHg at 25°C
• Boiling Point: 272.3°C at 760 mmHg
• Flash Point: 115.5°C
• Density: 1.36g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 229.99424
• Heavy Atom Count: 12
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1OC)OC)Br

Technology Process of 1-Bromo-2,4-dimethoxy-5-methylbenzene

There total 5 articles about 1-Bromo-2,4-dimethoxy-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: 81.0%

4,6-dibromo-1,3-dimethoxybenzene (24988-36-1) + methyl iodide (74-88-4) → 1-Bromo-2,4-dimethoxy-5-methylbenzene (19345-87-0)

Guidance literature:

4,6-dibromo-1,3-dimethoxybenzene; With isopropylmagnesium chloride; In tetrahydrofuran; at -10 ℃; for 0.75h; Inert atmosphere;

methyl iodide; In tetrahydrofuran; at -10 - 20 ℃; for 4.5h;

DOI:10.1016/j.tet.2016.04.066

Reference yield: 75.0%

2,4-dimethoxytoluene (38064-90-3) → 1-Bromo-2,4-dimethoxy-5-methylbenzene (19345-87-0)

Guidance literature:

With oxygen; lithium bromide; copper(ll) bromide; In acetic acid; at 60 ℃; under 760.051 Torr; regioselective reaction;

DOI:10.1039/b915487f

Reference yield: 50.0%

5-bromo-2, 4-dimethoxybenzaldehyde (130333-46-9) → 1-Bromo-2,4-dimethoxy-5-methylbenzene (19345-87-0)

Guidance literature:

With hydrogenchloride; mercury dichloride; zinc; In toluene; for 2h; Heating;

DOI:10.1246/bcsj.63.2435

upstream raw materials:

5-bromo-2, 4-dimethoxybenzaldehyde

2,4-Dimethoxybenzaldehyde

2,4-dimethoxytoluene

4,6-dibromo-1,3-dimethoxybenzene

Downstream raw materials:

5-methyl-2,4-dimethoxy-benzoic acid

Ethyl 2-Iodomethyl-4,6-dimethoxy-3-methylphenyl Ketone

2-Iodomethyl-4,6-dimethoxy-3-methylbenzaldehyde

5,7-Dimethoxy-4-methylisobenzofuran-1(3H)-one