4-Hydroxy-1-phenylbutan-1-one

Base Information

• Chemical Name: 4-Hydroxy-1-phenylbutan-1-one
• CAS No.: 39755-03-8
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• DSSTox Substance ID: DTXSID90450378
• Nikkaji Number: J89.307B
• Mol file: 39755-03-8.mol

Synonyms:4-hydroxy-1-phenylbutan-1-one;39755-03-8;1-Butanone, 4-hydroxy-1-phenyl-;4-hydroxy-1-phenyl-butan-1-one;3-Benzoyl-1-propanol;4-oxo-4-phenylbutanol;4-Phenyl-4-oxobutanol;SCHEMBL94886;4-hydroxy-1-phenyl-1-butanone;DTXSID90450378;FJUPUBXRHPSANV-UHFFFAOYSA-N;AKOS011305882;EN300-378938

Chemical Property of 4-Hydroxy-1-phenylbutan-1-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 30°C
• Refractive Index: 1.5413 (estimate)
• Boiling Point: 312.189oC at 760 mmHg
• PKA: 14.87±0.10(Predicted)
• Flash Point: 132.146oC
• PSA: 37.30000
• Density: 1.084g/cm3
• LogP: 1.64180
• 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:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Hydroxy-1-phenylbutan-1-one

There total 50 articles about 4-Hydroxy-1-phenylbutan-1-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: 98.0%

1,2-diphenylcyclopentene ozonide (73258-08-9) → 4-hydroxy-1-phenyl-butan-1-one (39755-03-8) + propiophenone (495-40-9) + 3,4-dihydronaphthalene-1(2H)-one (529-34-0) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

With iron(II) sulfate; In tetrahydrofuran; water; at 20 ℃; for 16h; Product distribution; Mechanism; other ozonides; 18O-tracer exp. with ethereal oxygen labeled; reduction also in presence of 18O-labeled H₂O or D₂O;

DOI:10.1021/ja990807v

Reference yield: 98.0%

1-phenyl-butane-1,4-diol (4850-50-4) → 4-hydroxy-1-phenyl-butan-1-one (39755-03-8)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; tris(2-methylphenyl)bismuth dichloride; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1002/1521-3773(20020816)41:16<3028::AID-ANIE3028>3.0.CO;2-U

Reference yield: 98.0%

1-phenyl-1-cyclobutanol (935-64-8) → 4-hydroxy-1-phenyl-butan-1-one (39755-03-8)

Guidance literature:

With [bis(acetoxy)iodo]benzene; water; In 1,1,1,3',3',3'-hexafluoro-propanol; at 20 ℃; for 0.25h; Inert atmosphere;

DOI:10.1016/j.tetlet.2010.12.032

upstream raw materials:

α-benzoyl-γ-butyrolactone

1-benzoylcyclopropanecarboxylic acid

3-benzoylpropionic acid methyl ester

succinylbenzene

Downstream raw materials:

4-amino-4-phenylbutan-1-ol

ω-(4-Brom-benzolsulfonyloxy)-butyrophenon

1-phenyl-ethanone

4-phenylpent-4-en-1-ol