3-Oxobut-1-en-2-yl benzoate

Base Information

Chemical Name:3-Oxobut-1-en-2-yl benzoate
CAS No.:78209-92-4
Molecular Formula:C11H10O3
Molecular Weight:190.199
Hs Code.:
DSSTox Substance ID:DTXSID60506356
Nikkaji Number:J276.822D
Wikidata:Q82362065

Synonyms:3-Oxobut-1-en-2-yl benzoate;78209-92-4;SCHEMBL22880269;DTXSID60506356

Suppliers and Price of 3-Oxobut-1-en-2-yl benzoate

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 3-Oxobut-1-en-2-yl benzoate

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:190.062994177
Heavy Atom Count:14
Complexity:249

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-Oxobut-1-en-2-yl benzoate

There total 2 articles about 3-Oxobut-1-en-2-yl 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: 47.0%

: 98-88-4
benzoyl chloride

: 431-03-8
dimethylglyoxal

: 78209-92-4
3-oxobut-1-en-2-yl benzoate

Guidance literature:: With N,N,N,N,N,N-hexamethylphosphoric triamide; triethylamine; In tetrahydrofuran; for 24h; Ambient temperature;
DOI:10.1002/hlca.19810640121

Reference yield:

: 4,4-diiodo-3-oxobutan-2-yl benzoate

: 78209-92-4
3-oxobut-1-en-2-yl benzoate

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 55 ℃; for 3h; Inert atmosphere;
DOI:10.1021/acs.orglett.8b00218

Reference yield: 73.0%

: 28131-24-0
tert-butyl N-methyl-N-(phenyl)carbamate

: 78209-92-4
3-oxobut-1-en-2-yl benzoate

: 1-((tert-butoxycarbonyl)(phenyl)amino)-4-oxopentan-3-yl benzoate

Guidance literature:: With 3,6‐di‐tert‐butyl‐9‐mesityl‐10‐phenylacridin‐10‐ium tetrafluoroborate; In dichloromethane; at 20 ℃; for 6h; Irradiation; Sealed tube; Inert atmosphere;
DOI:10.1021/jacs.8b04890