1-Hydroxy-4-phenyl-2-butanone

Base Information

• Chemical Name: 1-Hydroxy-4-phenyl-2-butanone
• CAS No.: 20296-07-5
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• DSSTox Substance ID: DTXSID20568056
• Nikkaji Number: J1.688.906G
• Wikidata: Q82454192
• Mol file: 20296-07-5.mol

Synonyms:1-hydroxy-4-phenyl-2-butanone;1-hydroxy-4-phenylbutan-2-one;20296-07-5;Phenylpropionylcarbinol;4-phenyl-2-oxo-1-butanol;SCHEMBL156142;DTXSID20568056;CHEBI:189883

Chemical Property of 1-Hydroxy-4-phenyl-2-butanone

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 137

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Hydroxy-4-phenyl-2-butanone

There total 15 articles about 1-Hydroxy-4-phenyl-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: 86.0%

1-diazo-4-phenyl-2-butanone (10290-42-3) → 1-hydroxy-4-phenyl-2-butanone (20296-07-5)

Guidance literature:

With zeolite H-Y; In dichloromethane; at 20 ℃; for 4h;

DOI:10.1055/s-2002-20452

Reference yield: 80.0%

3-phenyl-propionaldehyde (104-53-0) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → 1-hydroxy-4-phenyl-2-butanone (20296-07-5)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; H₂IMes_.HBF₄; In tetrahydrofuran; at 60 ℃; for 20 - 44h; Product distribution / selectivity;

Reference yield: 63.0%

4-Phenylbut-1-ene (768-56-9) → 1-hydroxy-4-phenyl-2-butanone (20296-07-5)

Guidance literature:

With 4,5-Diazafluoren-9-one; dihydrogen peroxide; palladium diacetate; trifluoroacetic acid; In tetrahydrofuran; water; at 75 ℃; for 6h; Sealed tube; Green chemistry;

DOI:10.1021/acs.orglett.7b01228

upstream raw materials:

4-phenyl-2-butanone oxime

4-Phenylbut-1-ene

4-phenyl-2-(trimethylsiloxy)-1-butene

1-diazo-4-phenyl-2-butanone

Downstream raw materials:

(S)-4-phenyl-1,2-butanediol

(2R)-4-phenylbutane-1,2-diol

1-(4-benzyloxy-phenyl)-2-hydroxy-1-(4-methoxyphenylamino)-5-phenylpentan-3-one

2-hydroxy-1-(4-methoxyphenyl)-1-(4-methoxyphenylamino)-5-phenylpentan-3-one