4-(2-Hydroxyphenyl)butan-2-one

Base Information

• Chemical Name: 4-(2-Hydroxyphenyl)butan-2-one
• CAS No.: 61844-32-4
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• NSC Number: 40513
• DSSTox Substance ID: DTXSID20285110
• Nikkaji Number: J2.367.295B
• Wikidata: Q82020363
• Mol file: 61844-32-4.mol

Synonyms:4-(2-hydroxyphenyl)butan-2-one;61844-32-4;4-(2-Hydroxyphenyl)-2-butanone;NSC40513;SCHEMBL269353;DTXSID20285110;NSC-40513;AKOS006371494;EN300-1852189

Chemical Property of 4-(2-Hydroxyphenyl)butan-2-one

Chemical Property:

• Vapor Pressure: 0.00248mmHg at 25°C
• Boiling Point: 278.7°Cat760mmHg
• Flash Point: 116.6°C
• Density: 1.088g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 154

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CCC1=CC=CC=C1O

Technology Process of 4-(2-Hydroxyphenyl)butan-2-one

There total 16 articles about 4-(2-Hydroxyphenyl)butan-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: 97.0%

4-(2-hydroxyphenyl)but-3-en-2-one (22214-28-4,6051-53-2) → 4-(2-hydroxyphenyl)butan-2-one (61844-32-4)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In ethyl acetate; at 20 ℃; for 6h; under 760.051 Torr;

DOI:10.1016/j.tet.2012.03.077

Reference yield: 88.0%

(E)-4-(2-hydroxyphenyl)but-3-en-2-one (6051-53-2) → 4-(2-hydroxyphenyl)butan-2-one (61844-32-4) + o-(3-hydroxybutyl)phenol (6952-32-5)

Guidance literature:

With nickel boride; hydrogen; In methanol; at 25 ℃; for 1h; chemoselective reaction;

DOI:10.1134/S1070428017010055

Reference yield: 85.0%

(2-hydroxyphenyl)mercury chloride (90-03-9) + methyl vinyl ketone (78-94-4,25038-87-3) → 4-(2-hydroxyphenyl)butan-2-one (61844-32-4)

Guidance literature:

With hydrogenchloride; tetrabutyl-ammonium chloride; palladium dichloride; In dichloromethane; at 0 ℃; for 4h;

DOI:10.1021/jo00136a036

upstream raw materials:

(E)-4-(2-hydroxyphenyl)but-3-en-2-one

4-(2-hydroxyphenyl)but-3-en-2-one

(2-hydroxyphenyl)mercury chloride

methyl vinyl ketone

Downstream raw materials:

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

3-hydroxy-2,3,4,5-tetrahydro-3-methyl<1>benzoxepin

2-hydroxymethyl-2-methylchroman

2-{3-[(2,4-Dinitro-phenyl)-hydrazono]-butyl}-phenol