4-(4-Bromophenyl)-2-butanone

Base Information

• Chemical Name: 4-(4-Bromophenyl)-2-butanone
• CAS No.: 89201-84-3
• Molecular Formula: C10H11BrO
• Molecular Weight: 227.101
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID20359986
• Nikkaji Number: J1.807.113D
• Wikidata: Q82141461
• Mol file: 89201-84-3.mol

Synonyms:4-(4-bromophenyl)butan-2-one;89201-84-3;4-(4-BROMOPHENYL)-2-BUTANONE;MFCD06200222;SCHEMBL256787;DTXSID20359986;RCQQHTLGGMFKGG-UHFFFAOYSA-N;AKOS009390218;NS-02865

Chemical Property of 4-(4-Bromophenyl)-2-butanone

Chemical Property:

• PSA: 17.07000
• LogP: 2.97070
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 225.99933
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

98%min ^*data from raw suppliers

4-(4-Bromophenyl)butan-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CCC1=CC=C(C=C1)Br

Technology Process of 4-(4-Bromophenyl)-2-butanone

There total 22 articles about 4-(4-Bromophenyl)-2-butanone 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: 98.0%

(E)-4-(4-bromophenyl)but-3-ene-2-one (20511-04-0,3815-31-4) → 4-(4-bromophenyl)-2-butanone (89201-84-3)

Guidance literature:

With 5%-palladium/activated carbon; In methanol; for 8h; under 2585.81 Torr;

DOI:10.1039/c5ob01569c

Reference yield: 97.0%

4-(4-bromophenyl)but-3-en-2-one (3815-31-4,20511-04-0) → 4-(4-bromophenyl)-2-butanone (89201-84-3)

Guidance literature:

With N-benzylammonium trifluoroacetate; 1,4-dihydro-2,6-dimethyl-3,5-bis<(methylamino)carbonyl>pyridine; In tetrahydrofuran; at 70 ℃; for 16h; Sealed tube;

DOI:10.1021/acs.joc.6b00041

Reference yield: 92.0%

2-hydroxy-3-butene (598-32-3) + 1,4-bromoiodobenzene (589-87-7) → 4-(4-bromophenyl)-2-butanone (89201-84-3)

Guidance literature:

With tetrabutyl-ammonium chloride; sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 100 ℃; for 6h; regioselective reaction; Inert atmosphere;

DOI:10.3184/174751913X13668131126257

upstream raw materials:

2-hydroxy-3-butene

1,4-bromoiodobenzene

1-bromomethyl-4-bromobenzene

acetylacetone

Downstream raw materials:

2-Trimethylsilanyl-4-(4-trimethylsilanyl-phenyl)-butan-2-ol

1-bromo-4-(4-bromophenyl)-2-butanone

4-(4-bromophenyl)-2-methyl-2-butanol

4-(4-bromophenyl)-2-methyl-2-trimethylsiloxybutane