2-Bromo-1-(4-tert-butylphenyl)ethanone

Base Information

• Chemical Name: 2-Bromo-1-(4-tert-butylphenyl)ethanone
• CAS No.: 30095-47-7
• Molecular Formula: C12H15 Br O
• Molecular Weight: 255.155
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID20368093
• Nikkaji Number: J2.506.158F
• Wikidata: Q82154405
• Mol file: 30095-47-7.mol

Synonyms:30095-47-7;2-bromo-1-(4-tert-butylphenyl)ethanone;2-Bromo-1-(4-(tert-butyl)phenyl)ethanone;2-Bromo-1-(4-tert-butyl-phenyl)-ethanone;2-BROMO-4'-TERT-BUTYLACETOPHENONE;2-bromo-1-(4-tert-butylphenyl)ethan-1-one;Ethanone, 2-bromo-1-[4-(1,1-dimethylethyl)phenyl]-;4-t-butylphenacyl bromide;SCHEMBL919272;DTXSID20368093;GCJWEWNNECJKPG-UHFFFAOYSA-N;MFCD00129635;STL301080;4'-tert-Butyl-alpha-bromoacetophenone;AKOS000115695;2-bromo-1-(4-tert-butyl-phenyl)ethanone;BS-13904;CS-0213080;FT-0663663;EN300-01953;2-bromo-1-(4-(tert-butyl)phenyl)ethan-1-one;H11793;2-bromo-1-(4'-tert-butyl-phenyl)-ethan-1-one;SR-01000325617;SR-01000325617-1;TRANS-4-AMINO-CYCLOHEXANECARBOXYLICACIDHYDROCHLORIDE

Chemical Property of 2-Bromo-1-(4-tert-butylphenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.000805mmHg at 25°C
• Boiling Point: 305.8°Cat760mmHg
• Flash Point: 36.7°C
• PSA: 17.07000
• Density: 1.27g/cm³
• LogP: 3.56170
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 254.03063
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

99.90% ^*data from raw suppliers

2-Bromo-4''-tert-butylacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)CBr

Technology Process of 2-Bromo-1-(4-tert-butylphenyl)ethanone

There total 19 articles about 2-Bromo-1-(4-tert-butylphenyl)ethanone 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: 95.0%

(4-tert-butylphenyl)ethynyl bromide (1085526-67-5) → 2-bromo-1-(4-(tert-butyl)phenyl)ethanone (30095-47-7)

Guidance literature:

With water; copper(II) acetate monohydrate; trifluoroacetic acid; at 70 ℃; for 6h; chemoselective reaction;

DOI:10.1002/ejoc.201501198

Reference yield: 90.0%

4'-t-butylacetophenone (943-27-1) → 2-bromo-1-(4-(tert-butyl)phenyl)ethanone (30095-47-7)

Guidance literature:

With N-Bromosuccinimide; In ethyl acetate; at 40 ℃;

Reference yield: 82.0%

4-tert-Butylstyrene (1746-23-2,26009-55-2) → 2-bromo-1-(4-(tert-butyl)phenyl)ethanone (30095-47-7)

Guidance literature:

With dibromamine-T; sodium thiosulfate; In water; acetone; at 20 ℃; for 2h;

DOI:10.1016/j.tetlet.2014.11.096

upstream raw materials:

4'-t-butylacetophenone

4-tert-Butylstyrene

2-bromo-1-(4-(tert-butyl)phenyl)ethan-1-ol

4-ethyl-tert-butylbenzene

Downstream raw materials:

1-(4-tert-butyl-phenacyl)-6-chloro-quinolinium; bromide

1-(4-tert-butyl-phenacyl)-1-methyl-1,2,3,4-tetrahydro-quinolinium; bromide

2-(4'-t-butylphenyl)-6-chloroimidazo<1,2-b>pyridazine

4-(4-tert-Butyl-phenyl)-N¹-[1-phenyl-meth-(Z)-ylidene]-imidazole-1,2-diamine