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CAS No.: | 504-31-4 |
---|---|
Name: | ALPHA-PYRONE |
Article Data: | 30 |
Molecular Structure: | |
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 |
5-bromo-5,6-dihydro-2H-pyran-2-one
pyran-2-one
Conditions | Yield |
---|---|
With triethylamine In toluene at 5 - 40℃; | 89% |
With triethylamine for 0.5h; Dehydrobromination; Heating; | 70% |
With triethylamine Yield given; |
hexane-3,4-cis-diol-2,5-dione
pyran-2-one
Conditions | Yield |
---|---|
With sodium dihydrogenphosphate; sodium hydroxide In acetic acid butyl ester; water at 80℃; for 12h; | 79.7% |
3-bromo-2H-pyran-2-one
lithium dimethylcuprate
A
3-methyl-2H-pyran-2-one
B
pyran-2-one
Conditions | Yield |
---|---|
In diethyl ether at -78℃; for 2h; Yields of byproduct given; | A 5% B n/a |
Conditions | Yield |
---|---|
With copper |
Conditions | Yield |
---|---|
With copper at 650℃; under 5 Torr; |
5-diazo-1,3-cyclopentadiene
A
pyran-2-one
B
cyclopentadienone
C
cyclopentadienylidene
D
(Z)-5-Oxo-penta-2,4-dienal
Conditions | Yield |
---|---|
With oxygen at -253.2℃; Mechanism; Irradiation; other temperatures, different λ, reaction with (18)O(16)O and (18)O2; |
5-diazo-1,3-cyclopentadiene
A
pyran-2-one
B
cyclopentadienone
C
(Z)-5-Oxo-penta-2,4-dienal
Conditions | Yield |
---|---|
With oxygen In solid matrix at -253.2℃; Product distribution; Mechanism; Irradiation; further with <18O>O2; |
Conditions | Yield |
---|---|
at 620℃; |
exo-4,5-epoxy-exo-10-oxatricyclo<5.2.1.02,6>deca-8-en-3-one
A
pyran-2-one
4,5-epoxy-2-cyclopentenone
Conditions | Yield |
---|---|
under 0.04 Torr; for 1.5h; flash vacuum thermolysis; T1 75 deg C / T2 375 deg C; Yield given; |
cyclopentadienone O-oxide
A
pyran-2-one
B
cyclopentadienone
C
(Z)-5-Oxo-penta-2,4-dienal
D
cyclopentadienone oxide
Conditions | Yield |
---|---|
Mechanism; Irradiation; |
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.
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%.
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