4-Propionylbiphenyl

Base Information

• Chemical Name: 4-Propionylbiphenyl
• CAS No.: 37940-57-1
• Molecular Formula: C15H14 O
• Molecular Weight: 210.276
• Hs Code.: 2914399090
• European Community (EC) Number: 684-364-1
• NSC Number: 24800
• UNII: J577D9RAJ8
• DSSTox Substance ID: DTXSID60191382
• Nikkaji Number: J51.128E
• Wikidata: Q83063902
• ChEMBL ID: CHEMBL1519521
• Mol file: 37940-57-1.mol

Synonyms:4-Propionylbiphenyl;37940-57-1;4-Phenylpropiophenone;4'-Phenylpropiophenone;p-Phenylpropiophenone;Propiophenone, 4'-phenyl-;1-([1,1'-Biphenyl]-4-yl)propan-1-one;4-Biphenylyl ethylketone;Ketone, 4-biphenyl ethyl;biphenyl-4-propiophenone;1-(4-phenylphenyl)propan-1-one;1-(biphenyl-4-yl)propan-1-one;4-Propanoylbiphenyl;1-Biphenyl-4-yl-propan-1-one;102477-83-8;1-Propanone, 1-(1,1'-biphenyl)-4-yl-;NSC 24800;BRN 2047144;J577D9RAJ8;NSC-24800;1-(1,1'-biphenyl-4-yl)propan-1-one;1-Propanone, 1-(1,1'-biphenyl)-4-yl- (9CI);3-07-00-02183 (Beilstein Handbook Reference);1-[1,1'-Biphenyl]-4-yl-1-propanone;1-Propanone, 1-[1,1'-biphenyl]-4-yl-;1-(1,1'-BIPHENYL)-4-YL-1-PROPANONE;NSC24800;4-propaNYLBIPHENYL;Maybridge1_000931;WLN: 2VR DR;UNII-J577D9RAJ8;MLS000589506;SCHEMBL1928026;4-Propionylbiphenyl, >/=98%;CHEMBL1519521;HMS544C07;DTXSID60191382;HMS2571E04;1-Propanone,1'-biphenyl]-4-yl-;BTB 03320;MFCD00027015;STK084285;AKOS000161929;NCGC00246294-01;AS-47879;SMR000212885;1-[1,1'-Biphenyl]-4-yl-1-propanone #;LS-125470;BB 0221156;FT-0639422;P1212;F16654;A823942;SR-01000388912;SR-01000388912-1

Chemical Property of 4-Propionylbiphenyl

Chemical Property:

• Vapor Pressure: 8.68E-05mmHg at 25°C
• Melting Point: 96 °C
• Refractive Index: 1.5725 (estimate)
• Boiling Point: 340.3 ºC at 760 mmHg
• Flash Point: 146.3 ºC
• PSA: 17.07000
• Density: 1.037 g/cm³
• LogP: 3.94630
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 210.104465066
• Heavy Atom Count: 16
• Complexity: 220

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Propionylbiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4-Propionylbiphenyl

There total 3 articles about 4-Propionylbiphenyl 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: 25.0%

α-chloro-4-phenylpropiophenone (73932-60-2) → 2-(4-biphenylyl)propanoic acid (6341-72-6,10516-54-8,10532-14-6,92937-21-8) + 1-biphenyl-4-yl-propan-1-one (37940-57-1) + biphenyl-4-yl 1-hydroxyethyl ketone (7462-79-5)

Guidance literature:

With methyloxirane; In water; acetone; Irradiation; pH neutral;

DOI:10.1016/S0040-4020(01)80835-8

Reference yield:

biphenyl (92-52-4,1594-86-1) → 1-biphenyl-4-yl-propan-1-one (37940-57-1)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃

2: 26 percent / propylene oxide / methanol / Irradiation; pH neutral

With aluminium trichloride; methyloxirane; In methanol;

DOI:10.1016/S0040-4020(01)80835-8

Reference yield:

biphenyl (92-52-4,1594-86-1) → 1-biphenyl-4-yl-propan-1-one (37940-57-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 89 percent / 1.) Al₂Cl₃, Br₂; 2.) H₂O / CS₂; diethyl ether / 1.5 h / 0 °C

2: benzene / 20 h / Heating

3: acetonitrile / 2 h / Irradiation

With water; bromine; In carbon disulfide; diethyl ether; acetonitrile; benzene;

DOI:10.1246/cl.1983.1113

upstream raw materials:

α-chloro-4-phenylpropiophenone

biphenyl

Downstream raw materials:

1-([1,1′-biphenyl]-4-yl)-2-methylpropan-1-one

4-((E)-1-Methoxy-propenyl)-biphenyl

3,4-bis-biphenyl-4-yl-hexane-3,4-diol

biphenyl-4-carboxylic acid

Refernces

• 1、 Tsujimoto, Kazuo,Inaba, Yoshihiro,Ohashi, Mamoru. "NOVEL PHOTOREDUCTIVE ALKYLATION OF METHYL 4-PHENYLBENZOATE WITH ALIPHATIC TERTIARY AMINES". . p. 1113 - 1116. Retrieved 2007/10/02.