2-Bromo-1-[4-(2-methylpropyl)phenyl]ethan-1-one

Base Information

• Chemical Name: 2-Bromo-1-[4-(2-methylpropyl)phenyl]ethan-1-one
• CAS No.: 30095-48-8
• Molecular Formula: C12H15BrO
• Molecular Weight: 255.155
• Hs Code.: 2914700090
• European Community (EC) Number: 858-681-2
• DSSTox Substance ID: DTXSID60545967
• Wikidata: Q82423630
• Mol file: 30095-48-8.mol

Synonyms:30095-48-8;2-bromo-1-[4-(2-methylpropyl)phenyl]ethan-1-one;2-bromo-1-(4-isobutylphenyl)ethanone;2-BROMO-1-[4-(2-METHYLPROPYL)PHENYL]ETHANONE;Ethanone, 2-bromo-1-[4-(2-methylpropyl)phenyl]-;SCHEMBL4818283;DTXSID60545967;JQUBVKCMLJPLLH-UHFFFAOYSA-N;AKOS000210261;CS-0216485;EN300-44889;C90293;2-Bromo-1-(4-isobutylphenyl)ethanone, AldrichCPR

Chemical Property of 2-Bromo-1-[4-(2-methylpropyl)phenyl]ethan-1-one

Chemical Property:

• PSA: 17.07000
• LogP: 3.46270
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 254.03063
• Heavy Atom Count: 14
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-1-[4-(2-methylpropyl)phenyl]ethan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC1=CC=C(C=C1)C(=O)CBr

Technology Process of 2-Bromo-1-[4-(2-methylpropyl)phenyl]ethan-1-one

There total 2 articles about 2-Bromo-1-[4-(2-methylpropyl)phenyl]ethan-1-one 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: 69.5%

2-Chloro-1-(4-isobutyl-phenyl)-1butanone + 2-(4-isobutyl-phenyl)-2-hydroxy-acetic acid (104483-03-6) → 2-bromo-1-(4-isobutylphenyl)-1-ethanone (30095-48-8)

Guidance literature:

Reference yield:

1-(4-isobutyl-phenyl)-ethanone (38861-78-8) → 2-bromo-1-(4-isobutylphenyl)-1-ethanone (30095-48-8)

Guidance literature:

With bromine; acetic acid;

DOI:10.1016/j.bmcl.2006.12.064

Reference yield: 90.0%

6-methoxy-2-methylquinolin-4-ol (15644-90-3) + 2-bromo-1-(4-isobutylphenyl)-1-ethanone (30095-48-8) → 1-(4-isobutylphenyl)-2-((6-methoxy-2-methylquinolin-4-yl)oxy)ethan-1-one

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 25 ℃; for 18h;

DOI:10.1016/j.ejmech.2020.112179

upstream raw materials:

1-(4-isobutyl-phenyl)-ethanone

2-(4-isobutyl-phenyl)-2-hydroxy-acetic acid

Downstream raw materials:

benzofuran-2-yl-(4-isobutyl-phenyl)-methanone

benzofuran-2-yl-(4-isobutyl-phenyl)-methanol

C₂₁H₂₀N₂O

C₁₈H₂₇O₆P

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