4-(3-Oxobutyl)phenyl benzoate

Base Information

Chemical Name:4-(3-Oxobutyl)phenyl benzoate
CAS No.:94135-08-7
Molecular Formula:C17H16 O3
Molecular Weight:268.312
Hs Code.:2916310090
European Community (EC) Number:302-876-2
UNII:Q3YHM2J4M5
DSSTox Substance ID:DTXSID00240742
Nikkaji Number:J368.279J
Wikidata:Q83123787
Mol file:94135-08-7.mol

Synonyms:4-(3-Oxobutyl)phenyl benzoate;94135-08-7;EINECS 302-876-2;4-(3-oxobutyl)phenylbenzoate;2-Butanone, 4-[4-(benzoyloxy)phenyl]-;Q3YHM2J4M5;DTXSID00240742;4-[4-(Benzoyloxy)phenyl]-2-butanone;Benzoic acid 4-(3-oxobutyl)phenyl ester

Suppliers and Price of 4-(3-Oxobutyl)phenyl benzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of 4-(3-Oxobutyl)phenyl benzoate

Chemical Property:

Vapor Pressure:8.06E-07mmHg at 25°C
Boiling Point:406.6°Cat760mmHg
Flash Point:179.5°C
PSA：43.37000
Density:1.137g/cm³
LogP:3.42740
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:268.109944368
Heavy Atom Count:20
Complexity:323

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=C(C=C1)OC(=O)C2=CC=CC=C2

Technology Process of 4-(3-Oxobutyl)phenyl benzoate

There total 3 articles about 4-(3-Oxobutyl)phenyl benzoate 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: 92.0%

: 94135-08-7
4-(4-benzoyloxyphenyl)-butan-2-one

Guidance literature:: With tris(bipyridine)ruthenium(II) dichloride hexahydrate; potassium carbonate; In acetonitrile; at 20 ℃; for 3h; Irradiation;

With dmap; In acetonitrile; for 0.166667h;

Reference yield: 90.0%

: 98-88-4
benzoyl chloride

: 5471-51-2
4-(4-hydroxyphenyl)-2-oxobutane

: 94135-08-7
4-(4-benzoyloxyphenyl)-butan-2-one

Guidance literature:: With pyridine; dmap; In dichloromethane; at 20 ℃; for 4h;
DOI:10.1081/SCC-120016367

Reference yield: 85.0%

: 98200-87-4
4-(3-hydroxybutyl)phenyl benzoate

: 94135-08-7
4-(4-benzoyloxyphenyl)-butan-2-one

Guidance literature:: With oxone; C₁₈H₁₇IN₂O₇PolS^(1-)*Na⁽¹⁺⁾; tetra(n-butyl)ammonium hydrogensulfate; In acetonitrile; at 70 ℃; for 18h; Reagent/catalyst; Solvent; Sealed tube; Green chemistry;
DOI:10.1039/c9gc02605c