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

Base Information

• Chemical Name: 1-Bromo-2,4-difluoro-5-methylbenzene
• CAS No.: 159277-47-1
• Molecular Formula: C7H5BrF2
• Molecular Weight: 207.018
• Hs Code.: 2903999090
• European Community (EC) Number: 642-829-6
• DSSTox Substance ID: DTXSID70435305
• Nikkaji Number: J1.413.789K
• Wikidata: Q82250137
• Mol file: 159277-47-1.mol

Synonyms:1-Bromo-2,4-difluoro-5-methylbenzene;159277-47-1;5-Bromo-2,4-difluorotoluene;Benzene, 1-bromo-2,4-difluoro-5-methyl-;SCHEMBL375373;DTXSID70435305;WOCZKGUFVNUBEC-UHFFFAOYSA-N;MFCD15144620;AKOS015888932;1-Methyl-2,4-difluoro-5-bromobenzene;2,4-DIFLUORO-5-BROMO TOLUENE;AM62224;CS-W008131;DS-14283;EN300-116314;A883312;Z1269171607;159227-47-1

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

Chemical Property:

• Boiling Point: 175.1±35.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.588±0.06 g/cm3(Predicted)
• LogP: 3.03570
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 205.95427
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

99% ^*data from raw suppliers

1-Bromo-2,4-difluoro-5-methylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1F)F)Br

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

There total 1 articles about 1-Bromo-2,4-difluoro-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:

2,4-difluorotoluene (452-76-6) → 1-bromo-2,4-difluoro-5-methylbenzene (159277-47-1)

Guidance literature:

With bromine; iron; at 60 ℃; for 2h;

DOI:10.1021/jo00103a013

Reference yield: 82.0%

C26H37NO11 + 1-bromo-2,4-difluoro-5-methylbenzene (159277-47-1) → C19H24F2O5

Guidance literature:

With [2,2]bipyridinyl; nickel(II) bromide dimethoxyethane; (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; sodium carbonate; In 1,4-dioxane; at 5 - 84 ℃; for 10h; diastereoselective reaction; Inert atmosphere; Irradiation;

DOI:10.1002/anie.202014991

Reference yield: 57.0%

1-bromo-2,4-difluoro-5-methylbenzene (159277-47-1) + bis(pinacol)diborane (73183-34-3) → 2-(2,4-difluoro-5-methyl-phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (1427407-71-3)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; In 1,4-dioxane; at 100 ℃; for 16h; Sealed tube;

upstream raw materials:

2,4-difluorotoluene

Downstream raw materials:

1',2'-Dideoxy-1'-(2,4-difluorotoluyl)-3',5'-di-O-toluoyl-β-D-ribofuranose

2,4-difluoro-5-methylbenzonitrile

2,4-difluoro-5-methylbenzaldehyde

2,4-difluoro-5-methylbenzylamine

Refernces