2-Oxobutyl benzoate

Base Information

Chemical Name:2-Oxobutyl benzoate
CAS No.:80387-17-3
Molecular Formula:C11H12O3
Molecular Weight:192.214
Hs Code.:
DSSTox Substance ID:DTXSID90577832
Nikkaji Number:J462.971J
Wikidata:Q82467945

Synonyms:2-oxobutyl benzoate;80387-17-3;SCHEMBL712632;DTXSID90577832;DMJHSQDGYBZILC-UHFFFAOYSA-N

Suppliers and Price of 2-Oxobutyl 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 2-Oxobutyl benzoate

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:192.078644241
Heavy Atom Count:14
Complexity:205

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(=O)COC(=O)C1=CC=CC=C1

Technology Process of 2-Oxobutyl benzoate

There total 5 articles about 2-Oxobutyl 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: 82.0%

: 532-32-1
sodium benzoate

: 616-27-3
1-chlorobutan-2-one

: 80387-17-3
3-oxo-2-butyl benzoate

Guidance literature:: With tetrabutylammomium bromide; In benzene; for 3h; Heating;
DOI:10.1246/bcsj.65.631

Reference yield: 56.0%

: 939-56-0
benzoyloxyacetonitrile

: 925-90-6
ethylmagnesium bromide

: 1026348-50-4
N-[1-(hydroxymethyl)cyclopropyl]benzamide

: 70107-41-4
5-hydroxy-1-phenylpentane-1,4-dione

: 80387-17-3
3-oxo-2-butyl benzoate

Guidance literature:: With titanium(IV) isopropylate; In diethyl ether; at 20 ℃; for 1h; Solvent; Inert atmosphere; Schlenk technique;
DOI:10.1002/ejoc.201301251

Reference yield:

: Trifluoro-methanesulfonate(Z)-3-benzoyloxy-but-2-ene-2-diazonium;

: 93-89-0,99341-95-4
benzoic acid ethyl ester

: 80387-17-3
3-oxo-2-butyl benzoate

: 106016-56-2
3-<<(trifluoromethyl)sulfonyl>oxy>-2-buten-2-yl benzoate

: 106016-52-8
4,5-dimethyl-2-phenyl-1,3-dioxolium trifluoromethanesulfonate

Guidance literature:: In dichloromethane; at -50 - 20 ℃; Yield given. Further byproducts given. Yields of byproduct given;
DOI:10.1021/jo00379a011