1-(2-Hydroxy-5-methylphenyl)butan-1-one

Base Information

• Chemical Name: 1-(2-Hydroxy-5-methylphenyl)butan-1-one
• CAS No.: 24323-47-5
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• DSSTox Substance ID: DTXSID20399529
• Nikkaji Number: J1.570.631G
• Wikidata: Q82202147
• Mol file: 24323-47-5.mol

Synonyms:1-(2-hydroxy-5-methylphenyl)butan-1-one;24323-47-5;1-(2-Hydroxy-5-methylphenyl)-1-butanone;2-Butyryl-p-kresol;2-Butanoyl-4-methylphenol;SCHEMBL11074148;DTXSID20399529;AKOS011665249;A18513;EN300-1276618

Chemical Property of 1-(2-Hydroxy-5-methylphenyl)butan-1-one

Chemical Property:

• PSA: 37.30000
• LogP: 2.68340
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 177

Purity/Quality:

97% ^*data from raw suppliers

1-(2-HYDROXY-5-METHYLPHENYL)-1-BUTANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2-Hydroxy-5-methylphenyl)butan-1-one

There total 11 articles about 1-(2-Hydroxy-5-methylphenyl)butan-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%

p-cresol (106-44-5) + butyric acid (107-92-6) → 1-(2-hydroxy-5-methylphenyl)butan-1-one (24323-47-5)

Guidance literature:

With iron(III) chloride; for 0.0166667h; regioselective reaction; Microwave irradiation;

DOI:10.1134/S1070428007120032

Reference yield: 66.0%

p-cresol (106-44-5) + butyryl chloride (141-75-3) → 1-(2-hydroxy-5-methylphenyl)butan-1-one (24323-47-5)

Guidance literature:

With aluminium trichloride; In 1,2-dichloro-ethane; at 110 - 120 ℃; for 8h;

Reference yield:

4-methyl-2-(trimethylsilyl)phenyl trifluoromethanesulfonate (262373-15-9) + butyric acid (107-92-6) → 1-(2-hydroxy-5-methylphenyl)butan-1-one (24323-47-5) + m-tolyl butyrate (7476-80-4) + methyl-4-phenyl butyrate (14617-92-6)

Guidance literature:

4-methyl-2-(trimethylsilyl)phenyl trifluoromethanesulfonate; butyric acid; With sodium hydroxide; In acetonitrile; at 20 ℃; for 0.166667h; Inert atmosphere;

With cesium fluoride; In acetonitrile; at 80 ℃; for 4h; Overall yield = 64 %; chemoselective reaction; Inert atmosphere;

DOI:10.1016/j.tetlet.2015.08.019

upstream raw materials:

methyl-4-phenyl butyrate

p-cresol

butyric acid

butyryl chloride

Downstream raw materials:

2-Butyl-4-methylphenol

1-(2-hydroxy-5-methyl-phenyl)-butan-1-one semicarbazone

2-Hydroxy-5-methyl-3-nitrobutyrophenon

1-(2-Hydroxy-5-methyl-phenyl)-butan-1-one oxime