CAS No.86404-04-8,3-O-Ethyl-L-ascorbic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	86404-04-8
Name:	3-O-Ethyl-L-ascorbic acid
Article Data:	12

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

Synthetic route

: 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

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%

: 74-96-4
ethyl bromide

: 50-81-7
ascorbic acid

: 86404-04-8
3‐O‐ethyl‐L‐ascorbic acid

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; Product distribution / selectivity;	69%

: 62-50-0
Ethyl methanesulfonate

: 50-81-7
ascorbic acid

: 86404-04-8
3‐O‐ethyl‐L‐ascorbic acid

Conditions

Conditions	Yield
With triethylamine In ethanol for 1h; Heating;	66%

: 64-67-5
diethyl sulfate

: 50-81-7
ascorbic acid

: 86404-04-8
3‐O‐ethyl‐L‐ascorbic acid

Conditions

Conditions	Yield
With triethylamine In ethanol for 1h; Heating;	64%

: 74-96-4
ethyl bromide

: 146-75-8, 6381-77-7, 6866-66-6, 7317-67-1, 7378-23-6, 21547-69-3, 58657-35-5, 134-03-2
sodium L-ascorbate

: 86404-04-8
3‐O‐ethyl‐L‐ascorbic acid

Conditions

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

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

: 75-03-6
ethyl iodide

: 146-75-8, 6381-77-7, 6866-66-6, 7317-67-1, 7378-23-6, 21547-69-3, 58657-35-5, 134-03-2
sodium L-ascorbate

: 86404-04-8
3‐O‐ethyl‐L‐ascorbic acid

Conditions

Conditions	Yield
In dimethyl sulfoxide at 60℃; for 12h; Temperature; Sealed tube;

: 64-67-5
diethyl sulfate

: 146-75-8, 6381-77-7, 6866-66-6, 7317-67-1, 7378-23-6, 21547-69-3, 58657-35-5, 134-03-2
sodium L-ascorbate

: 86404-04-8
3‐O‐ethyl‐L‐ascorbic acid

Conditions

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

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

: L-2-α-lipoyl-3-ethyl-ascorbic acid

Conditions

Conditions	Yield
With dmap; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In dichloromethane; chloroform at 25℃;	92%

Raw Materials

74-96-4

64-67-5

15042-01-0

50-81-7

62-50-0

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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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3-O-Ethyl-L-ascorbic acid