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| CAS No.: | 1917-65-3 |
|---|---|
| Name: | 5-(ETHOXYMETHYL)-2-FURALDEHYDE |
| Article Data: | 85 |
| Molecular Structure: | |
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|
|
| Formula: | C8H10O3 |
| Molecular Weight: | 154.166 |
| Synonyms: | 5-(Ethoxymethyl)furan-2-carbaldehyde; |
| Density: | 1.104 g/cm3 |
| Boiling Point: | 234.258 °C at 760 mmHg |
| Flash Point: | 95.476 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 41 |
| Safety: | 26-39 |
| PSA: | 39.44000 |
| LogP: | 1.62860 |
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| Conditions | Yield |
|---|---|
| at 80℃; for 3h; | 100% |
| With oil shale ashes taken from pulverized-fired boiler (Ash A) In water at 20℃; for 17h; Reagent/catalyst; | 88% |
| With silver cyanide | |
| With silver nitrate | |
| With calcium carbonate |
| Conditions | Yield |
|---|---|
| at 20℃; for 8h; | 95% |
| at 20℃; for 8h; | 95% |
| With calcium hydroxide In water at 70℃; for 1h; Reagent/catalyst; | 67% |
| Conditions | Yield |
|---|---|
| With graphene oxide (GO) at 100℃; for 12h; Kinetics; Concentration; Reagent/catalyst; Autoclave; | 92% |
| With Glu-Fe3O4-SO3H at 80℃; for 2h; | 92% |
| Stage #1: 5-hydroxymethyl-2-furfuraldehyde; ethanol at 100℃; for 12h; Stage #2: With water at 100℃; for 2h; | 91% |
- 67-47-0
5-hydroxymethyl-2-furfuraldehyde
- 64-17-5
ethanol
A
- 1917-65-3
5-(ethoxymethyl)furfural
B
- 539-88-8
4-oxopentanoic acid ethyl ester
| Conditions | Yield |
|---|---|
| With dual acidic Glu-TsOH-Ti catalyst at 90℃; for 6h; Reagent/catalyst; | A 91% B n/a |
| With mesoporous silica Z-SBA-15 catalyst at 140℃; for 5h; | A 76% B 23% |
| With partially reduced graphene oxide (S-RGO) at 140℃; for 24h; | A 71% B 22% |
| Conditions | Yield |
|---|---|
| With Glu-Fe3O4-SO3H In dimethyl sulfoxide at 100℃; for 24h; | A 10% B 85% |
| With graphene oxide (GO) In dimethyl sulfoxide at 130℃; for 24h; Kinetics; Autoclave; | A 7% B 66% |
- 67-47-0
5-hydroxymethyl-2-furfuraldehyde
- 64-17-5
ethanol
A
- 1917-65-3
5-(ethoxymethyl)furfural
B
- 539-88-8
4-oxopentanoic acid ethyl ester
C
- 109-94-4
formic acid ethyl ester
| Conditions | Yield |
|---|---|
| With sulfuric acid at 75℃; for 24h; Reagent/catalyst; Temperature; Sealed tube; | A 81% B 16% C n/a |
- 57-48-7
D-Fructose
- 64-17-5
ethanol
A
- 67-47-0
5-hydroxymethyl-2-furfuraldehyde
B
- 1917-65-3
5-(ethoxymethyl)furfural
| Conditions | Yield |
|---|---|
| With Glu-Fe3O4-SO3H at 80℃; for 24h; | A 7% B 81% |
| With graphene oxide (GO) In dimethyl sulfoxide at 130℃; for 24h; Kinetics; Autoclave; | A 9% B 71% |
| With graphene oxide (GO) In dimethyl sulfoxide at 100℃; for 24h; Kinetics; Temperature; Autoclave; | A 31% B 23% |
| In hexane at 100℃; for 0.333333h; Ionic liquid; Sealed tube; Green chemistry; |
- 57-48-7
D-Fructose
- 64-17-5
ethanol
A
- 1917-65-3
5-(ethoxymethyl)furfural
B
- 539-88-8
4-oxopentanoic acid ethyl ester
| Conditions | Yield |
|---|---|
| With poly(p-styrenesulfonic acid)-grafted carbon nanotubes at 100℃; for 12h; Sealed tube; Green chemistry; chemoselective reaction; | A n/a B 79% |
| With dual acidic Glu-TsOH-Ti catalyst at 120℃; for 30h; | A 66% B 18% |
| In hexane at 100℃; for 1.33333h; Ionic liquid; Sealed tube; Green chemistry; | A 54% B 6% |
- 67-47-0
5-hydroxymethyl-2-furfuraldehyde
- 107-19-7
propargyl alcohol
- 141-78-6
ethyl acetate
B
- 1917-65-3
5-(ethoxymethyl)furfural
| Conditions | Yield |
|---|---|
| With Amberlyst 15 at 70℃; | A 78% B 15% |
- 39131-44-7
5-bromomethyl-furan-2-carbaldehyde
- 64-17-5
ethanol
A
- 1917-65-3
5-(ethoxymethyl)furfural
B
- 539-88-8
4-oxopentanoic acid ethyl ester
| Conditions | Yield |
|---|---|
| With calcium carbonate for 1h; Reflux; | A 74% B 6% |
| In water at 70℃; for 0.5h; Overall yield = 98 %; |
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Specification
The 2-Furancarboxaldehyde, 5-(ethoxymethyl)-, with the CAS registry number 1917-65-3, is also known as 5-(Ethoxymethyl)-2-furaldehyde. This chemical's molecular formula is C8H10O3 and molecular weight is 154.16. What's more, its IUPAC name is called 5-(Ethoxymethyl)furan-2-carbaldehyde.
Physical properties about 2-Furancarboxaldehyde, 5-(ethoxymethyl)- are: (1)ACD/LogP: 0.506; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.51; (4)ACD/LogD (pH 7.4): 0.51; (5)ACD/BCF (pH 5.5): 1.43; (6) ACD/BCF (pH 7.4): 1.43; (7)ACD/KOC (pH 5.5): 44.91; (8)ACD/KOC (pH 7.4): 44.91; (9)#H bond acceptors: 3; (10)#H bond donors: 0 ; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 39.44 Å2; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 41.233 cm3; (15)Molar Volume: 139.58 cm3; (16)Polarizability: 16.346×10-24cm3; (17)Surface Tension: 36.193 dyne/cm; (18)Density: 1.104 g/cm3; (19)Flash Point: 95.476 °C; (20)Enthalpy of Vaporization: 47.099 kJ/mol; (21)Boiling Point: 234.258 °C at 760 mmHg; (22)Vapour Pressure: 0.053 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOCc1ccc(o1)C=O
(2) InChI: InChI=1S/C8H10O3/c1-2-10-6-8-4-3-7(5-9)11-8/h3-5H,2,6H2,1H3
(3) InChIKey: CCDRPZFMDMKZSZ-UHFFFAOYSA-N