2-Bromo-4-t-butyl-1-fluorobenzene

Base Information

• Chemical Name: 2-Bromo-4-t-butyl-1-fluorobenzene
• CAS No.: 34252-94-3
• Molecular Formula: C10H12BrF
• Molecular Weight: 231.1046832
• Hs Code.: 2903999090
• European Community (EC) Number: 959-342-2
• DSSTox Substance ID: DTXSID60499491
• Wikidata: Q82350303
• Mol file: 34252-94-3.mol

Synonyms:2-Bromo-4-t-butyl-1-fluorobenzene;34252-94-3;2-Bromo-4-(tert-butyl)-1-fluorobenzene;2-Bromo-4-tert-butyl-1-fluorobenzene;3-Bromo-4-fluoro-tert-butylbenzene;MFCD11845933;SCHEMBL419718;4-t-butyl-2-bromofluorobenzene;DTXSID60499491;ADCKDGLOIVDKBH-UHFFFAOYSA-N;AKOS015835232;2-bromo-4-tert-butyl-1-fluoro-benzene;1-Bromo-5-(tert-butyl)-2-fluorobenzene;BS-28080;SY065797;CS-0208248;E85540

Chemical Property of 2-Bromo-4-t-butyl-1-fluorobenzene

Chemical Property:

• Boiling Point: 62-63 °C(Press: 3 Torr)
• PSA: 0.00000
• Density: 1.309±0.06 g/cm3(Predicted)
• LogP: 3.88570
• Storage Temp.: Room temperature.
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 230.01064
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

2-Bromo-4-t-butyl-1-fluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(C=C1)F)Br

Technology Process of 2-Bromo-4-t-butyl-1-fluorobenzene

There total 2 articles about 2-Bromo-4-t-butyl-1-fluorobenzene 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-bromo-1-fluoro-4-(trifluoromethyl)benzene (68322-84-9) + trimethylaluminum (75-24-1) → 2-bromo-4-tert-butyl-1-fluorobenzene (34252-94-3)

Guidance literature:

In hexane; 1,2-dichloro-ethane; at 50 ℃; for 1h;

Reference yield:

1-tert-butyl-4-fluorobenzene (701-30-4) → 2-bromo-4-tert-butyl-1-fluorobenzene (34252-94-3)

Guidance literature:

With bromine; iron; In tetrachloromethane;

Reference yield: 68.0%

2-bromo-4-tert-butyl-1-fluorobenzene (34252-94-3) + benzaldehyde di(neopentyl) acetal (94231-95-5) → 4-(tert-butyl)-1-fluoro-2-isopentylbenzene

Guidance literature:

With nickel(II) bromide dimethoxyethane; potassium phosphate; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; tetrabutylammomium bromide; 4,4'-di-tert-butyl-2,2'-bipyridine; In acetonitrile; benzene; for 24h; Glovebox; Sealed tube; Irradiation;

DOI:10.1021/jacs.1c12203

upstream raw materials:

1-tert-butyl-4-fluorobenzene

2-bromo-1-fluoro-4-(trifluoromethyl)benzene

trimethylaluminum