1-Bromo-2,4-dichloro-5-methoxybenzene

Base Information

• Chemical Name: 1-Bromo-2,4-dichloro-5-methoxybenzene
• CAS No.: 174913-22-5
• Molecular Formula: C7H5BrCl2O
• Molecular Weight: 255.926
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID10599031
• Nikkaji Number: J1.617.536F
• Wikidata: Q82494872
• Mol file: 174913-22-5.mol

Synonyms:1-bromo-2,4-dichloro-5-methoxybenzene;174913-22-5;5-Bromo-2,4-dichloroanisole;Benzene, 1-bromo-2,4-dichloro-5-methoxy-;SCHEMBL263749;5-bromo 2,4-dichloro anisole;DTXSID10599031;ZGA91322;MFCD11845926;AKOS015890873;1-Bromo-2,4-dichloro-5-methoxy-benzene;AS-48672;DB-363395;F52425

Chemical Property of 1-Bromo-2,4-dichloro-5-methoxybenzene

Chemical Property:

• Boiling Point: 272.5±35.0 °C(Predicted)
• PSA: 9.23000
• Density: 1.666±0.06 g/cm3(Predicted)
• LogP: 3.76450
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 253.89008
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

1-Bromo-2,4-dichloro-5-methoxybenzene 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1Cl)Cl)Br

Technology Process of 1-Bromo-2,4-dichloro-5-methoxybenzene

There total 2 articles about 1-Bromo-2,4-dichloro-5-methoxybenzene 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: 43.0%

2,4-dichloro-5-methoxyaniline (98446-49-2) → 5-bromo-2,4-dichloroanisole (174913-22-5)

Guidance literature:

2,4-dichloro-5-methoxyaniline; With sulfuric acid; sodium nitrite; In acetic acid; for 0.5h; Cooling with ice;

With hydrogen bromide; copper(I) bromide; In acetic acid; at 50 ℃; for 1h;

Reference yield:

N-chloro-succinimide (128-09-6) + 5-Bromo-2-chloroanisole (16817-43-9) → 5-bromo-2,4-dichloroanisole (174913-22-5)

Guidance literature:

With sodium hydrogencarbonate; In acetic acid;

Reference yield: 67.0%

5-bromo-2,4-dichloroanisole (174913-22-5) + 2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenylamino)-4-aminopyrimidine-5-carbonitrile (936092-46-5) → 4-(2,4-dichloro-5-methoxyphenylamino)-2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl-amino)pyrimidine-5-carbonitrile

Guidance literature:

With caesium carbonate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; for 4h; Heating / reflux;

upstream raw materials:

N-chloro-succinimide

5-Bromo-2-chloroanisole

2,4-dichloro-5-methoxyaniline

Downstream raw materials:

2-chloro-N-(2,4-dichloro-5-methoxyphenyl)-5-methylpyrimidin-4-amine