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Cas Database |
| Name |
5-Hydroxy-4-methyl-2(5H)-furanone |
EINECS | 609-869-6 |
| CAS No. | 40834-42-2 | Density | 1.35 g/cm3 |
| PSA | 46.53000 | LogP | -0.19210 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C5H6O3 | Boiling Point | 328.121 °C at 760 mmHg |
| Molecular Weight | 114.101 | Flash Point | 163.168 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-Hydroxy-3-methylbut-2-en-4-olide;4-Methyl-5-hydroxy-2(5H)-furanone;5-Hydroxy-4-methyl-5H-furan-2-one;5-hydroxy-4-methylfuran-2(5H)-one;4-Methyl-5-hydroxy-2(5H)-furanone; |
Article Data | 13 |
5-Hydroxy-4-methyl-2(5H)-furanone Synthetic route
- 83803-81-0
ethyl (E/Z)-4,4-dimethoxy-3-methylbut-2-enoate
- 40834-42-2
5-hydroxy-4-methyl-5H-furan-2-one
| Conditions | Yield |
|---|---|
| With hydrogenchloride; iodine for 3h; Heating; | 100% |
- 40834-42-2
5-hydroxy-4-methyl-5H-furan-2-one
| Conditions | Yield |
|---|---|
| With amberlyst-15; water Ambient temperature; | 81% |
| Conditions | Yield |
|---|---|
| With morpholine; hydrogenchloride In water at 20℃; for 13h; Reflux; | 76% |
| With morpholine In 1,4-dioxane; water | |
| Stage #1: Glyoxilic acid With morpholine In n-heptane; water at 0 - 20℃; Stage #2: propionaldehyde In n-heptane; water at 20 - 45℃; Stage #3: With hydrogenchloride In n-heptane; water at 20℃; |
| Conditions | Yield |
|---|---|
| With morpholin hydrochloride In 1,4-dioxane; water 1) RT, 1 h, 2) 24 h, reflux; | 76% |
- 616-02-4
citraconic acid anhydride
A
- 931-23-7
5-Hydroxy-3-methyl-5H-furan-2-one
B
- 40834-42-2
5-hydroxy-4-methyl-5H-furan-2-one
| Conditions | Yield |
|---|---|
| With lithium tri-t-butoxyaluminum hydride In tetrahydrofuran at -30 - -15℃; for 3h; Inert atmosphere; | A 7% B 60% |
- 616-02-4
citraconic acid anhydride
A
- 40834-42-2
5-hydroxy-4-methyl-5H-furan-2-one
B
- 6124-79-4
4-methyl-2(5H)-furanone
C
- 22122-36-7
3-methyl-5H-furan-2-one
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In tetrahydrofuran THF, 0 deg C, 45 min; room temperature, 45 min; | A 5% B 43% C 5% |
- 78920-07-7
γ-morpholinobutenolide
- 40834-42-2
5-hydroxy-4-methyl-5H-furan-2-one
| Conditions | Yield |
|---|---|
| With hydrogenchloride for 0.25h; Heating; Yield given; |
- 78920-13-5
2-ethoxy-3-methyl-2H-furan-5-one
- 40834-42-2
5-hydroxy-4-methyl-5H-furan-2-one
| Conditions | Yield |
|---|---|
| With hydrogenchloride for 0.25h; Heating; Yield given; |
- 26315-61-7
L-menthyl glyoxylate
- 51043-49-3
(E)-1-(N-morpholino)propene
A
- 40834-42-2
5-hydroxy-4-methyl-5H-furan-2-one
B
- 109745-72-4
(E)-3-Methyl-4-oxo-but-2-enoic acid (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl ester
| Conditions | Yield |
|---|---|
| With sulfuric acid; toluene-4-sulfonic acid Multistep reaction. Yields of byproduct given; | |
| With sulfuric acid; toluene-4-sulfonic acid Yield given. Multistep reaction; |
- 203131-19-5
4-methyl-2-(triisopropyl)silyloxy-furan
- 40834-42-2
5-hydroxy-4-methyl-5H-furan-2-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 78 percent / dimethyldioxirane / acetone; CH2Cl2 2: 81 percent / H2O, Amberlyst-15 / Ambient temperature View Scheme |
5-Hydroxy-4-methyl-2(5H)-furanone Specification
The 2(5H)-Furanone,5-hydroxy-4-methyl-, with the CAS registry number 40834-42-2, has the systematic name of 5-hydroxy-4-methylfuran-2(5H)-one. And the molecular formula of this chemical is C5H6O3. It belongs to the product category of Intermediates of Isotretinoin.
The physical properties of 2(5H)-Furanone,5-hydroxy-4-methyl- are as following: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 2.513; (5)ACD/KOC (pH 7.4): 2.507; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 46.53 Å2; (10)Index of Refraction: 1.529; (11)Molar Refractivity: 26.081 cm3; (12)Molar Volume: 84.521 cm3; (13)Polarizability: 10.339×10-24cm3; (14)Surface Tension: 50.188 dyne/cm; (15)Density: 1.35 g/cm3; (16)Flash Point: 163.168 °C; (17)Enthalpy of Vaporization: 66.111 kJ/mol; (18)Boiling Point: 328.121 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC1=CC(=O)OC1O
(2)InChI: InChI=1/C5H6O3/c1-3-2-4(6)8-5(3)7/h2,5,7H,1H3
(3)InChIKey: XRNPHZPFAWLRNJ-UHFFFAOYAH
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