3-(4-Hydroxyphenyl)-2-butanone

Base Information

• Chemical Name: 3-(4-Hydroxyphenyl)-2-butanone
• CAS No.: 7074-13-7
• Molecular Formula: C₁₀H₁₂O₂
• Molecular Weight: 164.204
• DSSTox Substance ID: DTXSID601306736
• Mol file: 7074-13-7.mol

Synonyms:3-(4-hydroxyphenyl)-2-butanone;7074-13-7;SCHEMBL5794522;DTXSID601306736

Chemical Property of 3-(4-Hydroxyphenyl)-2-butanone

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 157

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-(4-Hydroxyphenyl)-2-butanone

There total 3 articles about 3-(4-Hydroxyphenyl)-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:

2-hydroxy-3-butene (598-32-3) + p-Iodophenol (540-38-5) → C10H12O2 (194279-78-2) + C10H12O2 (1068658-05-8) + 3-(4'-hydroxyphenyl)butan-2-one (7074-13-7) + 4-(4-hydroxyphenyl)-2-oxobutane (5471-51-2)

Guidance literature:

2-hydroxy-3-butene; With dicyclohexylmethylamine; tetrabutylammomium bromide; In water; at 20 ℃; for 0.25h;

p-Iodophenol; Kaiser oxime-derived complex on resin base; In water; at 120 ℃; for 5h; Further stages.;

DOI:10.1002/adsc.200700301

Reference yield:

3-(4-Methoxy-phenyl)-2-butanol (104174-19-8) → 3-(4'-hydroxyphenyl)butan-2-one (7074-13-7)

Guidance literature:

Multi-step reaction with 2 steps

1: CrO₃ / acetone

2: HI, AcOH

With chromium(VI) oxide; hydrogen iodide; acetic acid; In acetone;

DOI:10.1021/ja00960a029

Reference yield:

3-(4-methoxyphenyl)butan-2-one (7074-12-6) → 3-(4'-hydroxyphenyl)butan-2-one (7074-13-7)

Guidance literature:

With hydrogen iodide; acetic acid;

DOI:10.1021/ja00960a029

upstream raw materials:

3-(4-methoxyphenyl)butan-2-one

3-(4-Methoxy-phenyl)-2-butanol

2-hydroxy-3-butene

p-Iodophenol