2,4-Dibromo-5-fluoroanisole

Base Information

• Chemical Name: 2,4-Dibromo-5-fluoroanisole
• CAS No.: 861928-16-7
• Molecular Formula: C7H5Br2FO
• Molecular Weight: 283.9204032
• DSSTox Substance ID: DTXSID40479675
• Nikkaji Number: J2.196.131K
• Wikidata: Q82313819
• Mol file: 861928-16-7.mol

Synonyms:2,4-DIBROMO-5-FLUOROANISOLE;861928-16-7;1,5-Dibromo-2-fluoro-4-methoxybenzene;DTXSID40479675;MFCD12913976;AKOS015834805;AM62604;BS-25844;CS-0193244;E90793

Chemical Property of 2,4-Dibromo-5-fluoroanisole

Chemical Property:

• PSA: 9.23000
• LogP: 3.35930
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 283.86707
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

98% ^*data from raw suppliers

2,4-Dibromo-5-fluoroanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1Br)Br)F

Technology Process of 2,4-Dibromo-5-fluoroanisole

There total 2 articles about 2,4-Dibromo-5-fluoroanisole 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: 90.0%

2,5-dibromo-5-fluorophenol (2369-34-8) + dimethyl sulfate (77-78-1) → 2,4-dibromo-5-fluoroanisole (861928-16-7)

Guidance literature:

With sodium hydroxide; In water;

DOI:10.1016/j.tet.2005.04.051

Reference yield:

2-bromo-5-fluorophenol (147460-41-1) → 2,4-dibromo-5-fluoroanisole (861928-16-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 78 percent / Br₂ / 20 °C

2: 90 percent / NaOH / H₂O

With sodium hydroxide; bromine; In water; 2: Williamson reaction;

DOI:10.1016/j.tet.2005.04.051

Reference yield: 82.0%

2,4-dibromo-5-fluoroanisole (861928-16-7) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 5-bromo-2-fluoro-4-methoxybenzaldehyde (473417-48-0)

Guidance literature:

2,4-dibromo-5-fluoroanisole; With n-butyllithium; In tetrahydrofuran; diethyl ether; at -78 ℃; for 0.25h;

N,N-dimethyl-formamide; In tetrahydrofuran; diethyl ether; at -78 ℃; for 0.25h;

DOI:10.1016/j.tet.2005.04.051

upstream raw materials:

2,5-dibromo-5-fluorophenol

dimethyl sulfate

2-bromo-5-fluorophenol

Downstream raw materials:

5-bromo-2-fluoro-4-methoxybenzaldehyde

Refernces