2-Butanone, 4-(4-acetylphenyl)-

Base Information

• Chemical Name: 2-Butanone, 4-(4-acetylphenyl)-
• CAS No.: 57918-94-2
• Molecular Formula: C12H14O2
• Molecular Weight: 190.242
• DSSTox Substance ID: DTXSID30450039
• Nikkaji Number: J1.068.387D
• Wikidata: Q82269603
• Mol file: 57918-94-2.mol

Synonyms:2-Butanone, 4-(4-acetylphenyl)-;57918-94-2;4'-(3-Oxobutyl)acetophenone;SCHEMBL4623244;4-(p-acetylphenyl)-2-butanone;DTXSID30450039;NVYPSONFVYTSMP-UHFFFAOYSA-N

Chemical Property of 2-Butanone, 4-(4-acetylphenyl)-

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 190.099379685
• Heavy Atom Count: 14
• Complexity: 212

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Butanone, 4-(4-acetylphenyl)-

There total 15 articles about 2-Butanone, 4-(4-acetylphenyl)- 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%

methyl vinyl ketone (78-94-4,25038-87-3) + potassium 4-acetylphenyltrifluoroborate → 4-(4-acetyl-phenyl)-butan-2-one (57918-94-2)

Guidance literature:

With 1,4-di(diphenylphosphino)-butane; acetylacetonatodicarbonylrhodium(l); In methanol; water; at 50 ℃; for 16h;

DOI:10.1021/ol9910767

Reference yield: 96.0%

2-hydroxy-3-butene (598-32-3) + 4-Iodoacetophenone (13329-40-3) → 4-(4-acetyl-phenyl)-butan-2-one (57918-94-2)

Guidance literature:

With tetrabutyl-ammonium chloride; sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 100 ℃; for 5h; regioselective reaction; Inert atmosphere;

DOI:10.3184/174751913X13668131126257

Reference yield: 91.0%

methyl 3-hydroxy-2-methylenebutyrate (98837-36-6,111002-28-9,112572-93-7,18020-65-0) + para-bromoacetophenone (99-90-1) → 4-(4-acetyl-phenyl)-butan-2-one (57918-94-2)

Guidance literature:

With potassium carbonate; bis(η3-allyl-μ-chloropalladium(II)); (1RS,2RS,3SR,4SR)-1,2,3,4-tetrakis((diphenylphosphanyl)methyl)cyclopentane; In N,N-dimethyl-formamide; at 130 ℃; for 20h;

DOI:10.1016/j.tet.2006.02.061

upstream raw materials:

4-Phenyl-2-butanone

acetyl chloride

4-Iodoacetophenone

methyl vinyl ketone

Downstream raw materials:

4-[4-(1-hydroxy-ethyl)-phenyl]-butan-2-one

4-(4-ethyl-phenyl)-butan-2-one

1-(4-hexanoylphenyl)octan-3-one