- 2(3H)-Furanone, dihydro-3-isothiocyanato-
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Cas Database |
| Name |
2(3H)-Furanone,dihydro-4-methyl-, (4R)- |
EINECS | N/A |
| CAS No. | 65284-00-6 | Density | 1.04 g/cm3 |
| PSA | 26.30000 | LogP | 0.56940 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C5H8O2 | Boiling Point | 206.624 °C at 760 mmHg |
| Molecular Weight | 100.117 | Flash Point | 74.98 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2(3H)-Furanone,dihydro-4-methyl-, (R)-;(R)-beta-Methyl-g-butyrolactone; |
Article Data | 97 |
2(3H)-Furanone,dihydro-4-methyl-, (4R)- Synthetic route
- 222539-30-2
(R)-(+)-3-methyl-4-methoxymethyloxybutanenitrile
- 65284-00-6
(R)-3-methyl-γ-butyrolactone
| Conditions | Yield |
|---|---|
| With sulfuric acid In acetic acid for 1.5h; Heating; | 93% |
A
- 64190-48-3
(S)-3-methyl-4-butanolide
B
- 65284-00-6
(R)-3-methyl-γ-butyrolactone
| Conditions | Yield |
|---|---|
| With lithium borohydride In tetrahydrofuran at 50℃; for 1h; | A 69% B n/a |
- 89393-67-9
methyl (S)-(+)-3-methyl-5-oxohexanoate
- 65284-00-6
(R)-3-methyl-γ-butyrolactone
| Conditions | Yield |
|---|---|
| Stage #1: methyl (S)-(+)-3-methyl-5-oxohexanoate With 3-chloro-benzenecarboperoxoic acid In chloroform at 20℃; for 48h; Baeyer-Villager oxidation; Stage #2: With potassium hydroxide In methanol for 4h; Heating; Stage #3: With hydrogenchloride pH=3 - 4; | 68% |
- 172668-98-3
(3R)-4-(tert-butyldimethylsilanyloxy)-3-methylbutyronitrile
- 65284-00-6
(R)-3-methyl-γ-butyrolactone
| Conditions | Yield |
|---|---|
| With sulfuric acid In acetic acid Heating; | 60% |
- 110171-23-8
(S)-3-Methyl-4-<(tetrahydropyranyl)oxy>butanenitrile
- 65284-00-6
(R)-3-methyl-γ-butyrolactone
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol for 7h; Heating; | 46% |
| Multi-step reaction with 2 steps 1: aq. HCl / methanol / 4 h / Heating 2: 32.0 g / aq. NaOH / 5 h / Heating View Scheme | |
| Multi-step reaction with 2 steps 1: aq. KOH / ethane-1,2-diol / 6 h / Heating 2: aq. HCl / 0.25 h / 100 °C View Scheme |
- 88557-21-5
(R)-4-(iodomethyl)dihydrofuran-2(3H)-one
- 65284-00-6
(R)-3-methyl-γ-butyrolactone
| Conditions | Yield |
|---|---|
| With hydrogen; calcium carbonate; Raney Ni W-7 In ethanol for 0.5h; Ambient temperature; | 8.8% |
- 72657-23-9
methyl (R)-3-hydroxy-2-methylpropionate
- 65284-00-6
(R)-3-methyl-γ-butyrolactone
- 132364-20-6, 132364-47-7, 132437-73-1, 132437-98-0
(R)-3-Methyl-4-[((E)-propenyl)oxy]-butyraldehyde
A
- 64190-48-3
(S)-3-methyl-4-butanolide
B
- 65284-00-6
(R)-3-methyl-γ-butyrolactone
| Conditions | Yield |
|---|---|
| Jones oxidation; Yield given. Yields of byproduct given. Title compound not separated from byproducts; |
- 60610-08-4
(R)-(+)-4-tert. butoxy-3-methylbutyric acid
A
- 64190-48-3
(S)-3-methyl-4-butanolide
B
- 65284-00-6
(R)-3-methyl-γ-butyrolactone
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In benzene for 1.5h; Heating; Yield given. Title compound not separated from byproducts; |
- 84621-55-6
trans-(R)-2-Octen-4-ol
- 65284-00-6
(R)-3-methyl-γ-butyrolactone
| Conditions | Yield |
|---|---|
| Multistep reaction; |
2(3H)-Furanone,dihydro-4-methyl-, (4R)- Specification
The systematic name of 2(3H)-Furanone,dihydro-4-methyl-, (4R)- is (4S)-4-methyldihydrofuran-2(3H)-one. With the CAS registry number 65284-00-6, it is also named as (R)-beta-Methyl-gamma-butyrolactone. In addition, its molecular formula is C5H8O2 and its molecular weight is 100.11582.
The other characteristics of 2(3H)-Furanone,dihydro-4-methyl-, (4R)- can be summarized as: (1)ACD/LogP: -0.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17; (8)ACD/KOC (pH 7.4): 17; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.431; (14)Molar Refractivity: 24.891 cm3; (15)Molar Volume: 96.249 cm3; (16)Polarizability: 9.867×10-24cm3; (17)Surface Tension: 29.379 dyne/cm; (18)Density: 1.04 g/cm3; (19)Flash Point: 74.98 °C; (20)Enthalpy of Vaporization: 44.287 kJ/mol; (21)Boiling Point: 206.624 °C at 760 mmHg; (22)Vapour Pressure: 0.235 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C1OC[C@@H](C)C1
(2)InChI: InChI=1/C5H8O2/c1-4-2-5(6)7-3-4/h4H,2-3H2,1H3/t4-/m0/s1
(3)InChIKey: ALZLTHLQMAFAPA-BYPYZUCNBA
(4)Std. InChI: InChI=1S/C5H8O2/c1-4-2-5(6)7-3-4/h4H,2-3H2,1H3/t4-/m0/s1
(5)Std. InChIKey: ALZLTHLQMAFAPA-BYPYZUCNSA-N
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