1-Phenyl-1,2,3-butanetrione

Base Information

Chemical Name:1-Phenyl-1,2,3-butanetrione
CAS No.:4435-51-2
Molecular Formula:C₁₀H₈O₃
Molecular Weight:176.172
Hs Code.:
DSSTox Substance ID:DTXSID601310296
Nikkaji Number:J579.908B

Synonyms:1-phenyl-1,2,3-butanetrione;1-phenylbutane-1,2,3-trione;SCHEMBL5740300;DTXSID601310296;AKOS020762043;4435-51-2

Suppliers and Price of 1-Phenyl-1,2,3-butanetrione

Supply Marketing:

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

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Chemical Property of 1-Phenyl-1,2,3-butanetrione

Chemical Property:

XLogP3:1.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:176.047344113
Heavy Atom Count:13
Complexity:237

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 1-Phenyl-1,2,3-butanetrione

There total 15 articles about 1-Phenyl-1,2,3-butanetrione 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%

: 2009-96-3
2-diazo-1-phenylbutane-1,3-dione

: 4435-51-2
1-phenyl-butane-1,2,3-trione

Guidance literature:: With 3,3-dimethyldioxirane; In acetone; for 24h; Ambient temperature;
DOI:10.1080/00397919408012648

Reference yield: 79.0%

: 93-91-4
1-phenylbutan-1,3-dione

: 4435-51-2
1-phenyl-butane-1,2,3-trione

Guidance literature:: With piperidine; N-Bromosuccinimide; In dichloromethane; dimethyl sulfoxide; at 20 ℃; for 2h;
DOI:10.1002/adsc.201701312

Reference yield: 75.0%

: 93-91-4
1-phenylbutan-1,3-dione

: 4435-51-2
1-phenyl-butane-1,2,3-trione

: 120242-37-7
2,2-dihydroxy-1-phenylbutane-1,3-dione

: 1-(naphthalen-2-yl)-propane-1,2-dione

Guidance literature:: With triphenylphosphine hydrobromide; dimethyl sulfoxide; at 30 - 35 ℃; for 14h; Overall yield = 87 %; Overall yield = 0.052 g; chemoselective reaction; Inert atmosphere;
DOI:10.1021/acs.joc.5b00846