4-Bromo-2-fluoro-5-methylphenol

Base Information

• Chemical Name: 4-Bromo-2-fluoro-5-methylphenol
• CAS No.: 550400-07-2
• Molecular Formula: C7H6BrFO
• Molecular Weight: 205.026
• Hs Code.: 2908199090
• European Community (EC) Number: 807-239-7
• DSSTox Substance ID: DTXSID20447670
• Mol file: 550400-07-2.mol

Synonyms:4-BROMO-2-FLUORO-5-METHYLPHENOL;550400-07-2;Phenol, 4-bromo-2-fluoro-5-methyl-;SCHEMBL396273;DTXSID20447670;QDGUFFYQTIQGAJ-UHFFFAOYSA-N;MFCD09261252;AKOS024076932;CS-0192899;E90206;EN300-262870

Chemical Property of 4-Bromo-2-fluoro-5-methylphenol

Chemical Property:

• Boiling Point: 229.0±35.0 °C(Predicted)
• PKA: 8.26±0.23(Predicted)
• PSA: 20.23000
• Density: 1.646±0.06 g/cm3(Predicted)
• LogP: 2.60220
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 203.95861
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

99%min ^*data from raw suppliers

4-Bromo-2-fluoro-5-methylphenol >90% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1Br)F)O

Technology Process of 4-Bromo-2-fluoro-5-methylphenol

There total 1 articles about 4-Bromo-2-fluoro-5-methylphenol 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: 98.0%

2-fluoro-5-methylphenol (63762-79-8) → 4-bromo-2-fluoro-5-methylphenol (550400-07-2)

Guidance literature:

With bromine; acetic acid; at 20 ℃; for 1h;

Reference yield: 89.0%

4-bromo-2-fluoro-5-methylphenol (550400-07-2) + methyl iodide (74-88-4) → 1-bromo-5-fluoro-4-methoxy-2-methylbenzene (550400-11-8)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

Reference yield: 86.1%

N,N-Dimethylthiocarbamoyl chloride (16420-13-6) + 4-bromo-2-fluoro-5-methylphenol (550400-07-2) → O-4-bromo-2-fluoro-5-methylphenyl dimethylcarbamothioate (1011460-50-6)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 0 - 80 ℃; for 2h;

upstream raw materials:

2-fluoro-5-methylphenol

Downstream raw materials:

O-4-bromo-2-fluoro-5-methylphenyl dimethylcarbamothioate

4-methoxy-5-allyl-6-methyl-3-fluoro-bromobenzene

1-bromo-5-fluoro-4-methoxy-2-methylbenzene

2-bromo-4-fluoro-5-methoxy-benzoic acid

Refernces

• 1、 -. "AMINO-ISO-INDOLE, AMINO-AZA-ISO-INDOLE, AMINO-DIHYDROISOQUINOLINE AND AMINO-BENZOXAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE". Page/Page column 54-55. . Retrieved 2012/02/15.
• 2、 -. "SPIRO-AMINO-IMIDAZO-FUSED HETEROCYCLIC COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE". Page/Page column 55. . Retrieved 2012/09/10.