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CAS No.: | 28564-83-2 |
---|---|
Name: | 2,3-Dihydro-3,5-dihydroxy-6-methyl-4(H)-pyran-4-one |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C6H8O4 |
Molecular Weight: | 144.127 |
Synonyms: | 2,3-Dihydro-3,5-dihydroxy-6-methyl-4(4H)-pyranone;2,3-Dihydro-3,5-dihydroxy-6-methyl-4-pyranone;2,3-Dihydro-3,5-dihydroxy-6-methyl-4-pyrone;2,3-Dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one;3,5-Dihydroxy-6-methyl-2,3-dihydro-4H-pyran-4-one;3-Hydroxy-2,3-dihydromaltol;5,6-Dihydro-3,5-dihydroxy-2-methyl-4H-pyran-4-one;5-Hydroxy-5,6-dihydromaltol;Pyranone; |
Density: | 1.482 g/cm3 |
Boiling Point: | 281.1 °C at 760 mmHg |
Flash Point: | 121.7 °C |
PSA: | 66.76000 |
LogP: | -0.26390 |
2,3-dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one
Conditions | Yield |
---|---|
With methanol; sodium methylate at 20℃; for 10h; | 97.22% |
piperidine
A
4-hydroxy-2-(hydroxymethyl)-5-methyl-3(2H)-furanone
B
2,3-dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one
C
piperidino-hexose-reductone
Conditions | Yield |
---|---|
In ethanol; water; acetic acid at 75℃; for 20h; Heating; | A 21% B 8.8% C 20% |
D-Galactose
2,3-dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one
Conditions | Yield |
---|---|
Stage #1: D-Galactose With morpholine In ethanol at 60℃; for 3h; Stage #2: With chloroacetic acid In ethanol at 75℃; for 30h; | 20.3% |
D-glucose
2,3-dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one
Conditions | Yield |
---|---|
Stage #1: D-glucose With pyrrolidine In ethanol at 60℃; for 4h; Stage #2: With acetic acid In ethanol at 75℃; for 40h; | 16.5% |
Stage #1: D-glucose With piperidine In ethanol at 90℃; for 1.5h; Stage #2: With acetic acid In ethanol for 22h; Reflux; | 7% |
Stage #1: D-glucose With piperidine; acetic acid; triethylamine at 20 - 70℃; Stage #2: With mercaptoacetic acid In ethanol at 75℃; for 20.6667h; |
D-Mannose
2,3-dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one
Conditions | Yield |
---|---|
Stage #1: D-Mannose With diethylamine In ethanol at 60℃; for 2h; Stage #2: With acetic acid In ethanol at 75℃; for 20h; | 12.4% |
alpha-D-glucopyranose
2,2-dimethylpropylamine
A
2,3-dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one
B
2-acetyl-neopentylpyrrole
C
2-(2-hydroxyacetyl)-1-neopentylpyrrole
D
5-hydroxymethyl-1-neopentylpyrrole-2-carbaldehyde
Conditions | Yield |
---|---|
10 days of incubation under physiological pH and temperature; Yield given. Yields of byproduct given; |
1-deoxy-1-(N-methylanilino)-D-fructose
A
(2-furyl)methyl alcohol
B
2,3-dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one
C
ethanol
D
acetic acid
E
N-methyl-N-phenylformamide
F
N-methylaniline
Conditions | Yield |
---|---|
at 250℃; for 0.25h; Product distribution; |
1-deoxy-1-dibenzylamino-D-fructose
A
1-benzyl-1H-pyrrole
B
2,3-dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one
C
N-methyldibenzylamine
D
benzaldehyde
E
acetic acid
F
dibenzylamine
Conditions | Yield |
---|---|
at 250℃; for 0.25h; Product distribution; |
D-glucose
glycine
A
(2-furyl)methyl alcohol
B
2,5-Dimethylpyrrole
C
2,3-dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one
D
2-Acetylpyrrole
E
acetic acid
F
propionic acid
Conditions | Yield |
---|---|
In water at 95℃; for 2h; Product distribution; other reaction time, other temperature; |
3-amino propanoic acid
A
2,3-dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one
B
2,3-Dihydro-3,4-dihydroxy-5-acetylfuran
Conditions | Yield |
---|---|
at 150℃; for 0.0333333h; | A n/a B 0.5 mg |
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The 4H-Pyran-4-one,2,3-dihydro-3,5-dihydroxy-6-methyl- is an organic compound with the formula C6H8O4. The IUPAC name of this chemical is 3,5-dihydroxy-6-methyl-2,3-dihydropyran-4-one. With the CAS registry number 28564-83-2, it is also named as Pyranone. The product's classification code is Mutation data.
Physical properties about 4H-Pyran-4-one,2,3-dihydro-3,5-dihydroxy-6-methyl- are: (1)ACD/LogP: -0.42; (2)ACD/LogD (pH 5.5): -0.42; (3)ACD/LogD (pH 7.4): -0.43; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 14; (7)ACD/KOC (pH 7.4): 13.82; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 44.76 Å2; (12)Index of Refraction: 1.578; (13)Molar Refractivity: 32.27 cm3; (14)Molar Volume: 97.2 cm3; (15)Polarizability: 12.79×10-24cm3; (16)Surface Tension: 67.1 dyne/cm; (17)Density: 1.482 g/cm3; (18)Flash Point: 121.7 °C; (19)Enthalpy of Vaporization: 60.34 kJ/mol; (20)Boiling Point: 281.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000433 mmHg at 25°C.
Preparation: this chemical can be prepared by πperidine and 1-deoxy-D-erythro-2,3-hexodiulose. This reaction will need solvent ethanol, H2O and acetic acid. The reaction time is 20 hours by heating. The yield is about 20%.
Uses of 4H-Pyran-4-one,2,3-dihydro-3,5-dihydroxy-6-methyl-: it can be used to produce 5-hydroxy-2-methyl-4-propylamino-6H-pyran-3-one by heating. It will need reagent acetic acid and solvent tetrahydrofuran with reaction time of 20 min. The yield is about 42%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C(/O)=C(\OCC1O)C
(2)InChI: InChI=1/C6H8O4/c1-3-5(8)6(9)4(7)2-10-3/h4,7-8H,2H2,1H3
(3)InChIKey: VOLMSPGWNYJHQQ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H8O4/c1-3-5(8)6(9)4(7)2-10-3/h4,7-8H,2H2,1H3
(5)Std. InChIKey: VOLMSPGWNYJHQQ-UHFFFAOYSA-N