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| CAS No.: | 86404-04-8 |
|---|---|
| Name: | 3-O-Ethyl-L-ascorbic acid |
| Article Data: | 12 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C8H12O6 |
| Molecular Weight: | 204.18 |
| Synonyms: | L-Ascorbicacid, 3-O-ethyl-;(5R)-5-[(1S)-1,2-Dihydroxyethyl]-4-ethoxy-3-hydroxy-5H-furan-2-one; |
| EINECS: | 617-849-3 |
| Density: | 1.46 g/cm3 |
| Melting Point: | 112.0 to 116.0 °C |
| Boiling Point: | 551.5 °C at 760 mmHg |
| Flash Point: | 228.5 °C |
| PSA: | 96.22000 |
| LogP: | -0.92890 |
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- 86404-03-7
(R)-5-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)-4-ethoxy-3-hydroxyfuran-2(5H)-one
- 86404-04-8
3‐O‐ethyl‐L‐ascorbic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol at 60℃; for 3h; | 98% |
| With hydrogenchloride In methanol; water at 60℃; for 3h; | 98% |
| With cation-exchange resin In ethanol for 2h; Reflux; | 87% |
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 20℃; Product distribution / selectivity; | 69% |
| Conditions | Yield |
|---|---|
| With triethylamine In ethanol for 1h; Heating; | 66% |
| Conditions | Yield |
|---|---|
| With triethylamine In ethanol for 1h; Heating; | 64% |
| Conditions | Yield |
|---|---|
| In dimethyl sulfoxide at 50℃; for 3.5h; Temperature; Sealed tube; | 51% |
- 15042-01-0
5,6-O-isopropylidene-L-ascorbic acid
- 86404-04-8
3‐O‐ethyl‐L‐ascorbic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 70 percent / sodium bicarbonate / dimethylsulfoxide / 16 h / 50 °C 2: 98 percent / 2M HCl / methanol / 3 h / 60 °C View Scheme | |
| Multi-step reaction with 2 steps 1: triethylamine; toluene-4-sulfonic acid / 6 h / Reflux 2: cation-exchange resin / ethanol / 2 h / Reflux View Scheme | |
| Multi-step reaction with 2 steps 1: sodium hydrogencarbonate / dimethyl sulfoxide / 2 h / 70 °C 2: hydrogenchloride / methanol; water / 3 h / 60 °C View Scheme |
| Conditions | Yield |
|---|---|
| In dimethyl sulfoxide at 60℃; for 12h; Temperature; Sealed tube; |
| Conditions | Yield |
|---|---|
| In dimethyl sulfoxide at 40℃; for 12h; Temperature; Sealed tube; |
- 50-81-7
ascorbic acid
- 86404-04-8
3‐O‐ethyl‐L‐ascorbic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: toluene-4-sulfonic acid / 8 h / 25 °C 2: sodium hydrogencarbonate / dimethyl sulfoxide / 2 h / 70 °C 3: hydrogenchloride / methanol; water / 3 h / 60 °C View Scheme | |
| Multi-step reaction with 3 steps 1: toluene-4-sulfonic acid / 8 h / 25 °C 2: potassium hydroxide / dimethyl sulfoxide / 2 h / 80 °C 3: hydrogenchloride / methanol; water / 3 h / 60 °C View Scheme |
- 86404-04-8
3‐O‐ethyl‐L‐ascorbic acid
- 1077-28-7, 62-46-4
Thioctic acid
| Conditions | Yield |
|---|---|
| With dmap; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In dichloromethane; chloroform at 25℃; | 92% |
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Chemistry
Molecule structure of 3-O-Ethyl-L-ascorbic acid (CAS NO.86404-04-8):
IUPAC Name: (2R)-2-[(1S)-1,2-Dihydroxyethyl]-3-ethoxy-4-hydroxy-2H-furan-5-one
Molecular Weight: 204.17728 g/mol
Molecular Formula: C8H12O6
Density: 1.46 g/cm3
Boiling Point: 551.5 °C at 760 mmHg
Flash Point: 228.5 °C
Index of Refraction: 1.555
Molar Refractivity: 44.65 cm3
Molar Volume: 139 cm3
Surface Tension: 64.2 dyne/cm
Enthalpy of Vaporization: 95.61 kJ/mol
Vapour Pressure: 1.84E-14 mmHg at 25 °C
XLogP3: -1.5
H-Bond Donor: 3
H-Bond Acceptor: 6
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 204.063388
MonoIsotopic Mass: 204.063388
Topological Polar Surface Area: 96.2
Heavy Atom Count: 14
Canonical SMILES: CCOC1=C(C(=O)OC1C(CO)O)O
Isomeric SMILES: CCOC1=C(C(=O)O[C@@H]1[C@H](CO)O)O
InChI: InChI=1S/C8H12O6/c1-2-13-7-5(11)8(12)14-6(7)4(10)3-9/h4,6,9-11H,2-3H2,1H3/t4-,6+/m0/s1
InChIKey of 3-O-Ethyl-L-ascorbic acid (CAS NO.86404-04-8): ZGSCRDSBTNQPMS-UJURSFKZSA-N
Specification
3-O-Ethyl-L-ascorbic acid (CAS NO.86404-04-8) is also named as (5R)-5-[(1S)-1,2-Dihydroxyethyl]-4-ethoxy-3-hydroxy-5H-furan-2-one ; L-Ascorbic acid, 3-O-ethyl- .
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