CAS No.504-31-4,ALPHA-PYRONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	504-31-4
Name:	ALPHA-PYRONE
Article Data:	30

Formula:	C₅H₄O₂
Molecular Weight:	96.0856
Synonyms:	1,2-Pyrone(4CI);2,4-Pentadienoic acid, 5-hydroxy-, d-lactone;2-Pyranone;2-Pyrone;2H-Pyran, 2-oxo-;Coumalin;
EINECS:	207-990-5
Density:	1.192 g/cm³
Melting Point:	8-9 °C
Boiling Point:	207.5 °C at 760 mmHg
Flash Point:	89.2 °C
Appearance:	Clear yellow to brown liquid
Safety:	23-24/25
PSA:	30.21000
LogP:	0.63980

Synthetic route

: 53646-72-3
5-bromo-5,6-dihydro-2H-pyran-2-one

: 504-31-4
pyran-2-one

Conditions

Conditions	Yield
With triethylamine In toluene at 5 - 40℃;	89%
With triethylamine for 0.5h; Dehydrobromination; Heating;	70%
With triethylamine Yield given;

: 25566-16-9
hexane-3,4-cis-diol-2,5-dione

: 504-31-4
pyran-2-one

Conditions

Conditions	Yield
With sodium dihydrogenphosphate; sodium hydroxide In acetic acid butyl ester; water at 80℃; for 12h;	79.7%

: 19978-32-6
3-bromo-2H-pyran-2-one

: 15681-48-8
lithium dimethylcuprate

A: 31678-73-6
3-methyl-2H-pyran-2-one

B: 504-31-4
pyran-2-one

Conditions

Conditions	Yield
In diethyl ether at -78℃; for 2h; Yields of byproduct given;	A 5% B n/a

...Expand

: 672-67-3
2-oxo-2H-pyran-6-carboxylic acid

: 504-31-4
pyran-2-one

Conditions

Conditions	Yield
With copper

: 500-05-0
2H-pyran-2-one-5-carboxylic acid

: 504-31-4
pyran-2-one

Conditions

Conditions	Yield
With copper at 650℃; under 5 Torr;

: 1192-27-4
5-diazo-1,3-cyclopentadiene

A: 504-31-4
pyran-2-one

B: 13177-38-3
cyclopentadienone

C: 4729-01-5
cyclopentadienylidene

D: 39763-18-3
(Z)-5-Oxo-penta-2,4-dienal

E: Dioxirane

Conditions

Conditions	Yield
With oxygen at -253.2℃; Mechanism; Irradiation; other temperatures, different λ, reaction with (18)O(16)O and (18)O2;

...Expand

: 1192-27-4
5-diazo-1,3-cyclopentadiene

A: 504-31-4
pyran-2-one

B: 13177-38-3
cyclopentadienone

C: 39763-18-3
(Z)-5-Oxo-penta-2,4-dienal

Conditions

Conditions	Yield
With oxygen In solid matrix at -253.2℃; Product distribution; Mechanism; Irradiation; further with <18O>O2;

...Expand

: 19192-82-6
tricyclo<23,6.1.1.0>pyran-2-one

A: 504-31-4
pyran-2-one

B: 1120-53-2
1,3-cyclobutadiene

Conditions

Conditions	Yield
at 620℃;

: 69528-36-5, 127642-28-8
exo-4,5-epoxy-exo-10-oxatricyclo<5.2.1.02,6>deca-8-en-3-one

A: 504-31-4
pyran-2-one

: 68781-88-4, 129076-58-0
4,5-epoxy-2-cyclopentenone

Conditions

Conditions	Yield
under 0.04 Torr; for 1.5h; flash vacuum thermolysis; T1 75 deg C / T2 375 deg C; Yield given;

: 88766-67-0
cyclopentadienone O-oxide

A: 504-31-4
pyran-2-one

B: 13177-38-3
cyclopentadienone

C: 39763-18-3
(Z)-5-Oxo-penta-2,4-dienal

D: 68781-88-4
cyclopentadienone oxide

Conditions

Conditions	Yield
Mechanism; Irradiation;

...Expand

Country:
- China (Mainland)(37)
- Germany(1)
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Specification

The CAS register number of 2H-Pyran-2-one is 504-31-4. It also can be called as 2-Pyranone and the IUPAC name about this chemical is pyran-2-one. The molecular formula about this chemical is C₅H₄O₂ and the molecular weight is 96.08.

Physical properties about 2H-Pyran-2-one are: (1)ACD/LogP: -0.21; (2)ACD/LogD (pH 5.5): -0.2; (3)ACD/LogD (pH 7.4): -0.2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 18.44; (7)ACD/KOC (pH 7.4): 18.44; (8)#H bond acceptors: 2; (9)Polar Surface Area: 26.3 Å²; (10)Index of Refraction: 1.507; (11)Molar Refractivity: 24 cm³; (12)Molar Volume: 80.5 cm³; (13)Polarizability: 9.51x10^-24cm³; (14)Surface Tension: 38.9 dyne/cm; (15)Density: 1.192 g/cm³; (16)Flash Point: 89.2 °C; (17)Enthalpy of Vaporization: 44.38 kJ/mol; (18)Boiling Point: 207.5 °C at 760 mmHg; (19)Vapour Pressure: 0.225 mmHg at 25 °C.

Preparation: this chemical can be prepared by 5-bromo-5,6-dihydro-pyran-2-one. This reaction will need reagent of triethylamine.

2H-Pyran-2-one can be prepared by 5-bromo-5,6-dihydro-pyran-2-one.

Uses of 2H-Pyran-2-one: it can be used to produce thiopyran-2-thione and pyran-2-one. This reaction will need reagent of Lawesson's reagent and solvent of benzene. The reaction time is 40 hours. The yield is about 11%.

2H-Pyran-2-one can be used to produce thiopyran-2-thione and pyran-2-one.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful to the environment and it can pollute the water, do not put materials into the water. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide, source of ignition. It is stable under normal temperature and pressure. If you want to use this chemical, do not breathe vapour and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1O\C=C/C=C/1
(2)InChI: InChI=1/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H
(3)InChIKey: ZPSJGADGUYYRKE-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H
(5)Std. InChIKey: ZPSJGADGUYYRKE-UHFFFAOYSA-N