ChemicalBook--->CAS DataBase List--->4971-56-6

4971-56-6

4971-56-6 Structure

4971-56-6 Structure
IdentificationMore
[Name]

TETRONIC ACID
[CAS]

4971-56-6
[Synonyms]

4-HYDROXY-5(H)FURAN-2-ONE
TETRAHYDROFURAN-2,4-DIONE
TETRONIC ACID
TIMTEC-BB SBB008561
Butanoic acid, 4-hydroxy-3-oxo-, gamma-lactone
2,4(3H,5H)-Furandione
2,4(3H,5H)-Furandione~4-Hydroxy-2(5H)-furanone~Tetrahydrofuran-2,4-dione
beta-oxo-gamma-butyrolactone
Tetrahydro-2,4-furandione
Tetronicacidmin
TETRONIC ACID 98%
Tetronic acid, 96% min.
Tetronicacid,96%
Furan-2,4-dione
tectronic acid
β-Tetronic acid, 4-Hydroxy-2(5H)-furanone, Tetrahydrofuran-2,4-dione, Tetronic acid
2,4-Diketotetrahydrofuran
4-Hydroxy-3-oxobutyric acid γ-lactone
4-Hydroxyacetoacetic acid γ-lactone
Furan-2,4(3H,5H)-dione
[EINECS(EC#)]

225-617-4
[Molecular Formula]

C4H4O3
[MDL Number]

MFCD00010086
[Molecular Weight]

100.07
[MOL File]

4971-56-6.mol
Chemical PropertiesBack Directory
[Melting point ]

139-140°C (dec.)
[Boiling point ]

324.3±35.0 °C(Predicted)
[density ]

1.375±0.06 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

DMSO (Sparingly), Methanol (Slightly)
[form ]

Solid
[pka]

10.67±0.20(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C4H4O3/c5-3-1-4(6)7-2-3/h1-2H2
[InChIKey]

JCGNDDUYTRNOFT-UHFFFAOYSA-N
[SMILES]

O1CC(=O)CC1=O
[CAS DataBase Reference]

4971-56-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing .
[HS Code ]

2932190090
Questions And AnswerBack Directory
[Application]

Tetronic acid is a crystalline enolic lactone C4H4O3 that has acidic properties and is the parent compound of acidic compounds obtained by the fermenting action of a mold (Penicillium charlesii) from spoiled corn.
Tetronic acid is used as a precursor of a variety of substituted and ring-fused furans and butenolides. It is an acidic building block for heterocyclic compounds for medicinal applications. It is used for selective O-alkyaltion reactions involving cesium fluoride. It is also used to prepare 3H-furo[3,4-b]quinolin-1-one by reacting with 2-amino-benzaldehyde.
In organic synthesis, it is used as a precursor for other substituted and ring-fused furans and butenolides. It is also forms the structural core of a class of pesticides, known as tetronic acid insecticides, which includes spirodiclofen and spiromesifen.
Hazard InformationBack Directory
[Uses]

Tetronic Acid can be used for insecticides.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 56, p. 7007, 1991 DOI: 10.1021/jo00025a012
Spectrum DetailBack Directory
[Spectrum Detail]

TETRONIC ACID(4971-56-6)MS
TETRONIC ACID(4971-56-6)1HNMR
TETRONIC ACID(4971-56-6)13CNMR
TETRONIC ACID(4971-56-6)IR1
TETRONIC ACID(4971-56-6)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

4971-56-6(sigmaaldrich)
[TCI AMERICA]

Tetronic Acid,>96.0%(T)(4971-56-6)
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