2-Bromo-4,6-dichloroanisole

Base Information

• Chemical Name: 2-Bromo-4,6-dichloroanisole
• CAS No.: 60633-26-3
• Molecular Formula: C7H5BrCl2O
• Molecular Weight: 255.926
• European Community (EC) Number: 974-305-0
• DSSTox Substance ID: DTXSID501335045
• Nikkaji Number: J1.617.531E
• Mol file: 60633-26-3.mol

Synonyms:2-Bromo-4,6-dichloroanisole;1-bromo-3,5-dichloro-2-methoxybenzene;60633-26-3;2-bromo-4,6-dichlorophenyl methyl ether;SCHEMBL2415199;DTXSID501335045;MFCD08097451;STL066611;AKOS000500954;MCULE-8562292465;DB-097896;CS-0191826;E90111;EN300-1912831;AN-329/43385959

Chemical Property of 2-Bromo-4,6-dichloroanisole

Chemical Property:

• Melting Point: 65 °C
• Boiling Point: 253-258 °C(Press: 749 Torr)
• PSA: 9.23000
• Density: 1.666±0.06 g/cm3(Predicted)
• LogP: 3.76450
• XLogP3: 4.1
• 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-3,5-dichloro-2-methoxybenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1Br)Cl)Cl

Technology Process of 2-Bromo-4,6-dichloroanisole

There total 11 articles about 2-Bromo-4,6-dichloroanisole 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: 99.0%

1,3-dichloro-4-methoxybenzene (553-82-2) → 1-bromo-3,5-dichloro-2-methoxybenzene (60633-26-3)

Guidance literature:

With N-Bromosuccinimide; silver hexafluoroantimonate; 1-methylthiotriptycene; In 1,2-dichloro-ethane; at 20 ℃; for 7h; Inert atmosphere; Schlenk technique;

DOI:10.1021/jacs.9b12672

Reference yield:

4-bromo-2,6-dichloro-3-methoxy-benzaldehyde (860243-14-7) → formic acid (64-18-6) + 1-bromo-3,5-dichloro-2-methoxybenzene (60633-26-3)

Guidance literature:

DOI:10.1007/BF01518483

Reference yield:

2-bromo-4,6-dichlorophenol (4524-77-0) + methyl iodide (74-88-4) → 1-bromo-3,5-dichloro-2-methoxybenzene (60633-26-3)

Guidance literature:

With potassium carbonate; In acetone; for 18h; Heating / reflux;

upstream raw materials:

4-bromo-2,6-dichloro-3-methoxy-benzaldehyde

2-bromo-4,6-dichlorophenol

dimethyl sulfate

2,6-dichloro-3-hydroxybenzaldehyde

Downstream raw materials:

2-bromo-4,6-dichloro-3,5-dinitro-anisole