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Cas Database |
| Name |
2(5H)-Furanone,5-(hydroxymethyl)-, (5R)- |
EINECS | N/A |
| CAS No. | 112837-17-9 | Density | 1.294 g/cm3 |
| PSA | 46.53000 | LogP | -0.53970 |
| Solubility | N/A | Melting Point |
39-45 °C |
| Formula | C5H6O3 | Boiling Point | 334.8 °C at 760 mmHg |
| Molecular Weight | 114.101 | Flash Point | 166.8 °C |
| Transport Information | N/A | Appearance | white to light yellow crystalline powder |
| Safety | 22-24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2(5H)-Furanone,5-(hydroxymethyl)-, (R)-; |
Article Data | 10 |
2(5H)-Furanone,5-(hydroxymethyl)-, (5R)- Synthetic route
- 106757-56-6
(Z)-(-)-methyl 3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
- 112837-17-9
(R)-(+)-5-(hydroxymethyl)furan-2(5H)-one
| Conditions | Yield |
|---|---|
| With camphor-10-sulfonic acid at 25℃; for 3h; | 97% |
| With Dowex 50-X2-100 ion-exchange resin In methanol at 20℃; Inert atmosphere; | 97% |
| With sulfuric acid In methanol for 1.5h; Ambient temperature; | 91% |
| With sulfuric acid In methanol; water for 2h; Ambient temperature; | 90% |
- 36326-38-2, 64520-58-7, 91057-97-5, 91926-90-8, 104321-62-2, 124818-64-0, 128525-67-7, 128525-69-9, 104321-63-3
ethyl (R,Z)-3-(2′,2′-dimethyl-1′,3′-dioxolan-4′-yl)acrylate
- 112837-17-9
(R)-(+)-5-(hydroxymethyl)furan-2(5H)-one
| Conditions | Yield |
|---|---|
| With hydrogenchloride In ethanol; water at 20℃; for 2.5h; Inert atmosphere; | 94% |
| With sulfuric acid In methanol at 20℃; for 2h; Cyclization; | 66% |
- 112775-65-2, 112797-12-3
(5R)-phenylseleno-5-methyldihydro-2(3H)-furanone
- 112837-17-9
(R)-(+)-5-(hydroxymethyl)furan-2(5H)-one
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; acetic acid In water for 0.5h; | 83% |
- 1403352-72-6
C11H12O4S
- 112837-17-9
(R)-(+)-5-(hydroxymethyl)furan-2(5H)-one
| Conditions | Yield |
|---|---|
| With calcium carbonate In toluene Inert atmosphere; Reflux; | 80% |
- 112837-17-9
(R)-(+)-5-(hydroxymethyl)furan-2(5H)-one
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol for 12h; Ambient temperature; Yield given; |
- 116561-10-5
5-({[tert-butyl(dimethyl)silyl]oxy}methyl)-5H-furan-2-one
A
- 78508-96-0
(5S)-5-(hydroxymethyl)-5H-furan-2-one
B
- 112837-17-9
(R)-(+)-5-(hydroxymethyl)furan-2(5H)-one
| Conditions | Yield |
|---|---|
| With pyridine hydrogenfluoride In tetrahydrofuran at 0℃; for 16h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; |
- 85428-26-8
(+)-(R)-5-benzyloxymethylfuran-2(5H)-one
- 112837-17-9
(R)-(+)-5-(hydroxymethyl)furan-2(5H)-one
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In ethyl acetate at 20℃; for 1h; |
- 364373-27-3
5-benzyloxymethyl-3-phenylsulfanyl-dihydrofuran-2-one
- 112837-17-9
(R)-(+)-5-(hydroxymethyl)furan-2(5H)-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 50 percent / NaIO4 / aq. methanol / 20 °C 2: H2 / 10 percent Pd/C / ethyl acetate / 1 h / 20 °C View Scheme |
- 364373-24-0
5-benzyloxymethyl-3-phenylselanyl-dihydrofuran-2-one
- 112837-17-9
(R)-(+)-5-(hydroxymethyl)furan-2(5H)-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 85 percent / NaIO4 / aq. methanol / 1 h / 20 °C 2: H2 / 10 percent Pd/C / ethyl acetate / 1 h / 20 °C View Scheme |
- 174599-52-1
methyl (R)-4,5-dihydroxy-2-butynoate
- 112837-17-9
(R)-(+)-5-(hydroxymethyl)furan-2(5H)-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: H2 / Lindlar catalyst / ethyl acetate / 0.42 h / Ambient temperature 2: conc. aq. HCl / methanol / 12 h / Ambient temperature View Scheme |
2(5H)-Furanone,5-(hydroxymethyl)-, (5R)- Specification
This chemical is called 2(5H)-Furanone,5-(hydroxymethyl)-, (5R)-, and its IUPAC name is (2R)-2-(hydroxymethyl)-2H-furan-5-one With the molecular formula of C5H6O3, its molecular weight is 114.1. The CAS registry number of this chemical is 112837-17-9. Additionally, its product categories are Pharmacetical; Chiral Building Blocks; Furans; Heterocyclic Building Blocks.
Other characteristics of the can be summarised as followings: (1)ACD/LogP: -1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.81; (4)ACD/LogD (pH 7.4): -1.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.47; (8)ACD/KOC (pH 7.4): 2.47; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 26.01 cm3; (15)Molar Volume: 88.1 cm3; (16)Polarizability: 10.31×10-24cm3; (17)Surface Tension: 45.3 dyne/cm; (18)Density: 1.294 g/cm3; (19)Flash Point: 166.8 °C; (20)Enthalpy of Vaporization: 66.94 kJ/mol; (21)Boiling Point: 334.8 °C at 760 mmHg; (22)Vapour Pressure: 8.79E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C\1O[C@H](/C=C/1)CO
2.InChI: InChI=1/C5H6O3/c6-3-4-1-2-5(7)8-4/h1-2,4,6H,3H2/t4-/m1/s1
3.InChIKey: AWNLUIGMHSSXHB-SCSAIBSYBD
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