4-Phenylbutyrophenone

Base Information

• Chemical Name: 4-Phenylbutyrophenone
• CAS No.: 5407-91-0
• Molecular Formula: C16H16 O
• Molecular Weight: 224.302
• Hs Code.: 29143900
• European Community (EC) Number: 226-471-4
• NSC Number: 10735
• DSSTox Substance ID: DTXSID00202401
• Nikkaji Number: J142.898E
• Wikidata: Q83075669
• ChEMBL ID: CHEMBL1497694
• Mol file: 5407-91-0.mol

Synonyms:1,4-Diphenyl-1-butanone;4-Phenylbutyrophenone;5407-91-0;1,4-diphenylbutan-1-one;1-Butanone, 1,4-diphenyl-;MLS001171228;EINECS 226-471-4;SMR000592347;NSC10735;4-Phenylbutyrophenon;gamma-phenylbutyrophenone;1-Butanone,4-diphenyl-;1,4-diphenyl-butan-1-one;3-phenylpropyl phenyl ketone;cid_79413;CHEMBL1497694;BDBM76708;DTXSID00202401;HMS2916G06;MFCD00022005;NSC 10735;NSC-10735;STL186131;AKOS001080922;NCGC00246109-01;AS-58043;CS-0206553;FT-0606902;EN300-17851;Z57048962

Chemical Property of 4-Phenylbutyrophenone

Chemical Property:

• Melting Point: 55 °C
• Refractive Index: 1.5488 (estimate)
• Boiling Point: 364.7°Cat760mmHg
• Flash Point: 157.9°C
• Density: 1.044g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 224.120115130
• Heavy Atom Count: 17
• Complexity: 222

Purity/Quality:

99% ^*data from raw suppliers

1,4-diphenylbutan-1-one ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCCC(=O)C2=CC=CC=C2

Technology Process of 4-Phenylbutyrophenone

There total 122 articles about 4-Phenylbutyrophenone 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: 100.0%

1-Phenylethanol (98-85-1,13323-81-4) + 2-phenylethanol (60-12-8) → 1,4-diphenylbutan-1-one (5407-91-0)

Guidance literature:

With Cu-Ag supported on hydrotalcite; In o-xylene; at 150 ℃; for 8h; Inert atmosphere;

DOI:10.1039/c5ra22542f

Reference yield: 93.0%

allylbenzene (300-57-2,57807-91-7) + (E)-N-benzylidenebenzenamine (1750-36-3,33993-35-0,538-51-2,137431-97-1,137432-04-3) → 1,4-diphenylbutan-1-one (5407-91-0)

Guidance literature:

With 3-methylpyridin-2-ylamine; benzoic acid; Wilkinson's catalyst; at 140 ℃; for 0.166667h; microwave irradiation;

DOI:10.1039/b200442a

Reference yield: 92.0%

benzoic acid phenyl ester (93-99-2) + 9-(3-phenylpropyl)-9-borabicyclo[3.3.1]nonane (180286-97-9) → 1,4-diphenylbutan-1-one (5407-91-0)

Guidance literature:

With (3-phenylallyl)(chloro)-[1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene]palladium(II); caesium carbonate; In water; toluene; at 60 ℃; for 16h; Inert atmosphere; Glovebox; Sealed tube;

DOI:10.1021/acs.orglett.8b01646

upstream raw materials:

1,4-diphenyl-1-butanol

4-phenylbutyronitrile

1,4-diphenyl-1-butyne

2-benzoyl-4-phenyl-butyric acid methyl ester

Downstream raw materials:

pent-4-ene-1,4-diyldibenzene

1,4-diphenyl-butylamin; hydrochloride