2H-Pyran-2-one, 4-ethynyl-6-methyl-(9CI)

Base Information

Chemical Name:2H-Pyran-2-one, 4-ethynyl-6-methyl-(9CI)
CAS No.:502624-27-3
Molecular Formula:C8H6O2
Molecular Weight:134.13204
Hs Code.:
DSSTox Substance ID:DTXSID40437098
Nikkaji Number:J1.827.908H
Wikidata:Q82252471
ChEMBL ID:CHEMBL115980
Mol file:502624-27-3.mol

Synonyms:502624-27-3;2H-Pyran-2-one, 4-ethynyl-6-methyl- (9CI);2H-Pyran-2-one, 4-ethynyl-6-methyl-(9CI);4-ethynyl-6-methyl-2-pyrone;CHEMBL115980;DTXSID40437098;4-Ethynyl-6-methyl-2H-pyran-2-one

Suppliers and Price of 2H-Pyran-2-one, 4-ethynyl-6-methyl-(9CI)

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
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price

Total 1 raw suppliers

Chemical Property of 2H-Pyran-2-one, 4-ethynyl-6-methyl-(9CI)

Chemical Property:

PSA：30.21000
LogP:0.92950
XLogP3:1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:134.036779430
Heavy Atom Count:10
Complexity:273

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=CC(=O)O1)C#C

Technology Process of 2H-Pyran-2-one, 4-ethynyl-6-methyl-(9CI)

There total 3 articles about 2H-Pyran-2-one, 4-ethynyl-6-methyl-(9CI) 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: 80.0%

: 502624-16-0
4-(trimethylsilylethynyl)-6-methyl-2-pyrone

: 502624-27-3
4-ethynyl-6-methyl-2-pyrone

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; at -78 ℃; for 2h;
DOI:10.1016/S0960-894X(02)00824-7

Reference yield:

: 132559-91-2
4-bromo-6-methyl-2H-pyran-2-one

: 502624-27-3
4-ethynyl-6-methyl-2-pyrone

Guidance literature:: Multi-step reaction with 2 steps

1: 82 percent / PPh₃; Et₃N; CuI / 10 percent Pd/C / acetonitrile / 3 h

2: 80 percent / tetrabutylammonium fluoride / tetrahydrofuran / 2 h / -78 °C

With copper(l) iodide; tetrabutyl ammonium fluoride; triethylamine; triphenylphosphine; palladium on activated charcoal; In tetrahydrofuran; acetonitrile; 1: Sonogashira coupling;
DOI:10.1016/S0960-894X(02)00824-7

Reference yield:

: 675-10-5
4-hydroxy-6-methyl-2-pyron

: 502624-27-3
4-ethynyl-6-methyl-2-pyrone

Guidance literature:: Multi-step reaction with 3 steps

1: 79 percent / PBr₃ / dimethylformamide / 70 °C

2: 82 percent / PPh₃; Et₃N; CuI / 10 percent Pd/C / acetonitrile / 3 h

3: 80 percent / tetrabutylammonium fluoride / tetrahydrofuran / 2 h / -78 °C

With copper(l) iodide; tetrabutyl ammonium fluoride; phosphorus tribromide; triethylamine; triphenylphosphine; palladium on activated charcoal; In tetrahydrofuran; N,N-dimethyl-formamide; acetonitrile; 2: Sonogashira coupling;
DOI:10.1016/S0960-894X(02)00824-7