4'-Hydroxybutyrophenone

Base Information

• Chemical Name: 4'-Hydroxybutyrophenone
• CAS No.: 1009-11-6
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• Hs Code.: 2914501900
• European Community (EC) Number: 213-766-8
• NSC Number: 17548
• DSSTox Substance ID: DTXSID5061405
• Nikkaji Number: J217.124D
• Wikidata: Q72480995
• ChEMBL ID: CHEMBL214150
• Mol file: 1009-11-6.mol

Synonyms:4'-Hydroxybutyrophenone;1009-11-6;1-(4-Hydroxyphenyl)butan-1-one;1-Butanone, 1-(4-hydroxyphenyl)-;1-(4-Hydroxyphenyl)-1-butanone;p-Butyrylphenol;p-Hydroxybutyrophenone;4-Butyrylphenol;Butyrophenone, 4'-hydroxy-;p-Hydroxyphenyl propyl ketone;NSC 17548;CHEMBL214150;EINECS 213-766-8;MFCD00020173;1-[4-Hydroxyphenyl]-1-butanone;4-Butanoylphenol;NSC17548;4-Hydroxy-n-butyrophenone;ChemDiv2_002250;4 inverted exclamation mark -Hydroxybutyrophenone;4-Hydroxyphenyl Propyl Ketone;SCHEMBL151228;DTXSID5061405;HMS1375G06;BDBM50189960;NSC-17548;STK735180;AKOS000369841;PS-4201;NCGC00338646-01;SY018273;CS-0034666;FT-0633239;H0903;AB01314399-03;EN300-1242094;SR-01000524003;SR-01000524003-1;W-108932;F0907-4237

Chemical Property of 4'-Hydroxybutyrophenone

Chemical Property:

• Appearance/Colour: white crystal
• Vapor Pressure: 0.000307mmHg at 25°C
• Melting Point: 93 °C
• Refractive Index: 1.534
• Boiling Point: 311.5 °C at 760 mmHg
• PKA: 8.05±0.15(Predicted)
• Flash Point: 131.8 °C
• PSA: 37.30000
• Density: 1.077 g/cm³
• LogP: 2.37500
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

4''-Hydroxybutyrophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)C1=CC=C(C=C1)O
• Uses: 4'-HYDROXYBUTYROPHENONE is a useful research chemical.

Technology Process of 4'-Hydroxybutyrophenone

There total 21 articles about 4'-Hydroxybutyrophenone 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%

butyryl chloride (141-75-3) + phenol (108-95-2,27073-41-2) → 1-(4-hydroxyphenyl)-butan-1-one (1009-11-6)

Guidance literature:

With trifluorormethanesulfonic acid; at 0 - 20 ℃; for 1h; regiospecific reaction;

DOI:10.1016/j.tet.2010.11.047

Reference yield: 90.0%

1-Pentyne (627-19-0) + p-benzoquinone (106-51-4) → 1-(4-hydroxyphenyl)-butan-1-one (1009-11-6)

Guidance literature:

With dipotassium peroxodisulfate; trifluoroacetic acid; In water; acetonitrile; at 25 ℃; for 8h; Irradiation;

DOI:10.1021/acs.joc.9b00855

Reference yield: 87.0%

1-Pentyne (627-19-0) + phenol (108-95-2,27073-41-2) → 1-(4-hydroxyphenyl)-butan-1-one (1009-11-6)

Guidance literature:

With oxygen; copper(l) chloride; In acetonitrile; at 25 - 28 ℃; for 12h; regioselective reaction; Irradiation;

DOI:10.1021/jacs.6b13113

upstream raw materials:

butyryl chloride

phenol

butyric acid

phenyl butanoate

Downstream raw materials:

1-(3,5-dibromo-4-hydroxy-phenyl)-butan-1-one

1-(4-hydroxy-3,5-diiodo-phenyl)-butan-1-one

1-[4-(2-diethylamino-ethoxy)-phenyl]-butan-1-one

1-(4-allyloxy-phenyl)-butan-1-one