2-Butanone, 3-bromo-4-phenyl-

Base Information

• Chemical Name: 2-Butanone, 3-bromo-4-phenyl-
• CAS No.: 55985-68-7
• Molecular Formula: C10H11BrO
• Molecular Weight: 227.101
• DSSTox Substance ID: DTXSID80446104
• Nikkaji Number: J2.005.623A
• Mol file: 55985-68-7.mol

Synonyms:3-bromo-4-phenylbutan-2-one;55985-68-7;3-bromo-4-phenyl-2-butanone;2-butanone, 3-bromo-4-phenyl-;SCHEMBL3713994;DTXSID80446104;AKOS011683262;FT-0761194;EN300-349423

Chemical Property of 2-Butanone, 3-bromo-4-phenyl-

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 225.99933
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Butanone, 3-bromo-4-phenyl-

There total 12 articles about 2-Butanone, 3-bromo-4-phenyl- 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: 92.0%

3-benzyl-3-bromopentane-2,4-dione → 3-bromo-4-phenylbutan-2-one (55985-68-7)

Guidance literature:

With silica-supported sulfuric acid; In 1,2-dichloro-ethane; at 60 ℃; for 1h;

DOI:10.1246/cl.2011.484

Reference yield: 85.0%

ethyl (E)-1-phenylbut-1-en-3-ol (36004-04-3) → 3-bromo-4-phenylbutan-2-one (55985-68-7)

Guidance literature:

ethyl (E)-1-phenylbut-1-en-3-ol; With 2,2-dibromo-5,5-dimethylcyclohexane-1,3-dione; In water; acetone; for 0.05h;

With 2C₁₀H₁₅^(1-)*2Ir⁽³⁺⁾*4HO^(1-)*11H₂O; In water; acetone; at 20 ℃; for 24h;

DOI:10.1002/chem.201402350

Reference yield: 84.0%

3-benzyl-pentane-2,4-dione (1134-87-8) → 3-bromo-4-phenylbutan-2-one (55985-68-7)

Guidance literature:

With aluminum oxide; sodium carbonate; copper(ll) bromide; In benzene; at 50 ℃; for 1h;

DOI:10.1016/j.tetlet.2004.01.014

upstream raw materials:

4-Phenyl-2-butanone

acetyl chloride

4,4,5,5-tetramethyl-2-((E)-styryl)-[1,3,2]dioxaborolane

3-benzyl-pentane-2,4-dione

Downstream raw materials:

3-benzyl-4-hydroxy-4-phenyl-2-butanone

3-benzyl-4-hydroxy-4-phenyl-2-butanone

3-azido-4-phenyl-2-butanone

(2S,3S)-4-phenyl-3-bromo-2-butanol