CAS No.4971-56-6,TETRONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4971-56-6
Name:	TETRONIC ACID
Article Data:	22

Formula:	C₄H₄O₃
Molecular Weight:	100.074
Synonyms:	Acetoaceticacid, 4-hydroxy-, g-lactone (7CI);Butanoic acid, 4-hydroxy-3-oxo-, g-lactone;Tetrahydrofuran-2,4-dione;Tetrahydrofuran-3,5-dione;
EINECS:	225-617-4
Density:	1.375 g/cm³
Melting Point:	139-140 °C (dec.)
Boiling Point:	324.3 °C at 760 mmHg
Flash Point:	151.1 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	43.37000
LogP:	-0.49760

Synthetic route

: 638-07-3
ethyl (2-chloroaceto)acetate

: 4971-56-6
tetrahydrofuran-2,4-dione

Conditions

Conditions	Yield
With potassium acetate; acetic acid at 80 - 90℃; for 12h;	45%

: 1192-50-3
3-bromo-furan-2,4-dione

: 4971-56-6
tetrahydrofuran-2,4-dione

Conditions

Conditions	Yield
With sodium carbonate Behandeln mit Natriumamalgam unter Einleiten von Kohlendioxyd und anschliessend Behandeln mit Schwefelsaeure;
With sodium carbonate anschliessend Hydrierung an Palladium/Kohle;

: 1192-50-3
3-bromo-furan-2,4-dione

A: 4971-56-6
tetrahydrofuran-2,4-dione

B: 167644-70-4
[3,3']bifuryl-2,4,2',4'-tetraone

Conditions

Conditions	Yield
With sodium amalgam

: 64-17-5
ethanol

: 2,2-bis-(2,4-dioxo-tetrahydro-[3]furyl)-propane

A: 4971-56-6
tetrahydrofuran-2,4-dione

B: 67-64-1
acetone

...Expand

: 36717-62-1
2,4-dioxo-tetrahydro-furan-3-carboxylic acid ethyl ester

: 4971-56-6
tetrahydrofuran-2,4-dione

Conditions

Conditions	Yield
With sodium hydroxide Ansaeuern mit wss. Salzsaeure;

: 22273-65-0
4-(phenylamino)furan-2(5H)-one

A: 4971-56-6
tetrahydrofuran-2,4-dione

B: 62-53-3
aniline

Conditions

Conditions	Yield
With water at 25℃; Rate constant; Mechanism;

4-oxo-2-imino-tetrahydrofuran-carboxylic acid-(3): 4-oxo-2-imino-tetrahydrofuran-carboxylic acid-(3)

: 4971-56-6
tetrahydrofuran-2,4-dione

Conditions

Conditions	Yield
With sulfuric acid

: 2,4-dioxo-tetrahydro-furan-3-carboxylic acid methyl ester

aqueous-methanolic NaOH-solution: aqueous-methanolic NaOH-solution

: 4971-56-6
tetrahydrofuran-2,4-dione

barium salt of/the/ tetronic acid α-carboxylic acid: barium salt of/the/ tetronic acid α-carboxylic acid

: 4971-56-6
tetrahydrofuran-2,4-dione

Conditions

Conditions	Yield
With sulfuric acid

: 96-32-2
bromoacetic acid methyl ester

magnesium compound of bromoacetic acid benzyl ester: magnesium compound of bromoacetic acid benzyl ester

: 4971-56-6
tetrahydrofuran-2,4-dione

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Specification

The CAS registry number of 2,4(3H,5H)-Furandione is 4971-56-6. Its EINECS registry number is 225-617-4. The IUPAC name is 2-hydroxy-2H-furan-5-one. In addition, the molecular formula is C₄H₄O₃ and the molecular weight is 100.07. It is also called tetrahydrofuran-2,4-dione. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about 2,4(3H,5H)-Furandione are: (1)ACD/LogP: -2.03; (2)ACD/LogD (pH 5.5): -2.03; (3)ACD/LogD (pH 7.4): -2.03; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.87; (7)ACD/KOC (pH 7.4): 1.87; (8)#H bond acceptors: 3; (9)Polar Surface Area: 43.37 Å²; (10)Index of Refraction: 1.47; (11)Molar Refractivity: 20.31 cm³; (12)Molar Volume: 72.7 cm³; (13)Polarizability: 8.05 ×10^-24cm³; (14)Surface Tension: 47.7 dyne/cm; (15)Density: 1.375 g/cm³; (16)Flash Point: 151.1 °C; (17)Enthalpy of Vaporization: 56.63 kJ/mol; (18)Boiling Point: 324.3 °C at 760 mmHg; (19)Vapour Pressure: 0.000248 mmHg at 25 °C.

Uses of 2,4(3H,5H)-Furandione: it can react with 2-amino-benzaldehyde to get 3H-furo[3,4-b]quinolin-1-one. This reaction will need solvent ethanol. The yield is about 80% with ambient temperature.

2,4(3H,5H)-Furandione can react with 2-amino-benzaldehyde to get 3H-furo[3,4-b]quinolin-1-one

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1COC(=O)C1
(2)InChI: InChI=1/C4H4O3/c5-3-1-4(6)7-2-3/h1-2H2
(3)InChIKey: JCGNDDUYTRNOFT-UHFFFAOYAI