3-Hydroxy-4-phenylbutan-2-one

Base Information

• Chemical Name: 3-Hydroxy-4-phenylbutan-2-one
• CAS No.: 5355-63-5
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• Hs Code.: 2914400090
• European Community (EC) Number: 611-012-6
• UNII: EP0R730B2H
• DSSTox Substance ID: DTXSID20968310
• Nikkaji Number: J1.532.209H
• Wikidata: Q27277276
• Metabolomics Workbench ID: 45439
• Mol file: 5355-63-5.mol

Synonyms:3-hydroxy-4-phenylbutan-2-one;5355-63-5;3-HYDROXY-4-PHENYL-2-BUTANONE;2-Butanone, 3-hydroxy-4-phenyl-;4-Phenyl-3-hydroxybutan-2-one;FEMA no. 4052;UNII-EP0R730B2H;3-Hydroxy-4-phenylbutan-2-one [FHFI];EP0R730B2H;2-Butanone, 3-hydroxy-4-phenyl;SCHEMBL105702;DTXSID20968310;CHEBI:180403;QBCUUJGHWFKMDC-UHFFFAOYSA-N;Q27277276

Chemical Property of 3-Hydroxy-4-phenylbutan-2-one

Chemical Property:

• Vapor Pressure: 0.0027mmHg at 25°C
• Refractive Index: 1.532
• Boiling Point: 274°C at 760 mmHg
• Flash Point: 114.4°C
• PSA: 37.30000
• Density: 1.092g/cm³
• LogP: 1.17900
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Hydroxy-4-phenylbutan-2-one

There total 23 articles about 3-Hydroxy-4-phenylbutan-2-one 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: 81.0%

1-(3-phenyloxiran-2-yl)ethanone (6249-79-2,57134-72-2,84033-96-5,144667-51-6,144667-52-7,146388-50-3,192047-39-5) → 3-hydroxy-4-phenyl-2-butanone (5355-63-5)

Guidance literature:

With formic acid; triethylamine; palladium diacetate; In tetrahydrofuran; Heating;

Reference yield: 58.0%

4-Phenyl-3-trimethylsilanyloxy-butan-2-one (119554-23-3) → 3-hydroxy-4-phenyl-2-butanone (5355-63-5)

Guidance literature:

With hydrogenchloride; In water;

DOI:10.1016/0960-894X(96)00178-3

Reference yield: 46.0%

4-Phenyl-2-butanone (2550-26-7) → 3-hydroxy-4-phenyl-2-butanone (5355-63-5)

Guidance literature:

With iodine; dimethyl sulfoxide; at 50 ℃; for 24h;

DOI:10.1021/ol5037387

upstream raw materials:

phenylacetaldehyde

methyl magnesium iodide

α-<(trimethylsilyl)oxy>benzenepropanenitrile

1-(3-phenyloxiran-2-yl)ethanone

Downstream raw materials:

3-oxo-1-phenylbutan-2-yl acetate

1-phenylbutane-2,3-diol