Products Categories
CAS No.: | 40834-42-2 |
---|---|
Name: | 5-HYDROXY-4-METHYL-2(5H)FURANONE |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C5H6O3 |
Molecular Weight: | 114.101 |
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; |
EINECS: | 609-869-6 |
Density: | 1.35 g/cm3 |
Boiling Point: | 328.121 °C at 760 mmHg |
Flash Point: | 163.168 °C |
PSA: | 46.53000 |
LogP: | -0.19210 |
ethyl (E/Z)-4,4-dimethoxy-3-methylbut-2-enoate
5-hydroxy-4-methyl-5H-furan-2-one
Conditions | Yield |
---|---|
With hydrogenchloride; iodine for 3h; Heating; | 100% |
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% |
citraconic acid anhydride
A
5-Hydroxy-3-methyl-5H-furan-2-one
B
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% |
citraconic acid anhydride
A
5-hydroxy-4-methyl-5H-furan-2-one
B
4-methyl-2(5H)-furanone
C
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% |
γ-morpholinobutenolide
5-hydroxy-4-methyl-5H-furan-2-one
Conditions | Yield |
---|---|
With hydrogenchloride for 0.25h; Heating; Yield given; |
2-ethoxy-3-methyl-2H-furan-5-one
5-hydroxy-4-methyl-5H-furan-2-one
Conditions | Yield |
---|---|
With hydrogenchloride for 0.25h; Heating; Yield given; |
L-menthyl glyoxylate
(E)-1-(N-morpholino)propene
A
5-hydroxy-4-methyl-5H-furan-2-one
B
(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; |
4-methyl-2-(triisopropyl)silyloxy-furan
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 |
What can I do for you?
Get Best Price
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