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| CAS No.: | 59278-00-1 |
|---|---|
| Name: | 2-[(Acetyloxy)methoxy]ethyl acetate |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C7H12O5 |
| Molecular Weight: | 176.169 |
| Synonyms: | Ethanol,2-(hydroxymethoxy)-, diacetate (6CI);Ethanol, 2-[(acetyloxy)methoxy]-, acetate(9CI);(2-Acetoxyethoxy)methyl acetate;1,4-Diacetoxy-2-oxabutane;2-Acetoxyethyl acetoxymethyl ether;2-Oxa-1,4-butanediol diacetate; |
| EINECS: | 261-686-7 |
| Density: | 1.119 g/cm3 |
| Boiling Point: | 225.2 °C at 760 mmHg |
| Flash Point: | 90.9 °C |
| Appearance: | clear, colourless or yellowish liquid |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 61.83000 |
| LogP: | 0.08670 |
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| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid at 35 - 40℃; for 0.833333h; Reagent/catalyst; Temperature; | 91% |
- 646-06-0
1,3-DIOXOLANE
- 506-96-7
Acetyl bromide
- 127-09-3
sodium acetate
- 59278-00-1
2-acetoxyethyl acetoxymethyl ether
| Conditions | Yield |
|---|---|
| Stage #1: 1,3-DIOXOLANE; Acetyl bromide Stage #2: sodium acetate With acetic acid at 110℃; for 1h; | 77% |
| Conditions | Yield |
|---|---|
| With sulfuric acid Ambient temperature; | 74% |
| With sulfuric acid at -5 - 20℃; | 52% |
| With iron(III) chloride |
| Conditions | Yield |
|---|---|
| With sodium acetate In acetic acid at 110℃; for 1h; | 60% |
- 646-06-0
1,3-DIOXOLANE
- 7664-93-9
sulfuric acid
- 127-09-3
sodium acetate
- 108-24-7
acetic anhydride
A
- 111-55-7
ethylene glycol diacetate
B
- 59278-00-1
2-acetoxyethyl acetoxymethyl ether
C
- 90114-17-3
1,2-bis(acetoxy-methyloxy)ethane
| Conditions | Yield |
|---|---|
| With sulfuric acid at 20℃; Versetzen des abgekuehlten Reaktionsgemisches mit Natriumacetat; |
- 17495-10-2
N2-acetyl-7-benzylguanine
B
- 59278-00-1
2-acetoxyethyl acetoxymethyl ether
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide |
- 59278-00-1
2-acetoxyethyl acetoxymethyl ether
- 3056-33-5
2,9-diacetylguanine
- 75128-73-3
2-acetylamino-9-(2-acetoxyethoxymethyl)purine-6-one
| Conditions | Yield |
|---|---|
| at 105℃; for 80h; | 95.1% |
| With toluene-4-sulfonic acid In toluene at 110℃; Temperature; Large scale; | 94.3% |
- 59278-00-1
2-acetoxyethyl acetoxymethyl ether
- 1214-39-7
6-benzyladenine
- 173205-63-5
9-<(2-acetoxyethoxy)methyl>-6-benzylaminopurine
| Conditions | Yield |
|---|---|
| With aluminum oxide; silica gel for 0.0666667h; microwave irradiation; | 95% |
- 59278-00-1
2-acetoxyethyl acetoxymethyl ether
- 126094-26-6
5-Methylimidazo<4,5-d><1,3>thiazine-7(3H)-thione
- 136369-77-2
3-(2-Acetoxyethoxymethyl)-5-methylimidazo<4,5-d><1,3>thiazine-7(3H)-thione
| Conditions | Yield |
|---|---|
| at 150℃; for 0.333333h; | 94% |
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Specification
The Ethanol,2-[(acetyloxy)methoxy]-, 1-acetate, with CAS registry number 59278-00-1, belongs to the following product categories: (1)Intermediates & Fine Chemicals; (2)Pharmaceuticals. It has the systematic name of [2-(acetyloxy)ethoxy]methyl acetate. This chemical is a kind of bright yellow liquid. The main use of this chemical is the intermediate for the preparation of Acyclovir-d4.
Physical properties of Ethanol,2-[(acetyloxy)methoxy]-, 1-acetate: (1)ACD/LogP: 0.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.32; (4)ACD/LogD (pH 7.4): 0.32; (5)ACD/BCF (pH 5.5): 1.03; (6)ACD/BCF (pH 7.4): 1.03; (7)ACD/KOC (pH 5.5): 35.59; (8)ACD/KOC (pH 7.4): 35.59; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 61.83 Å2; (13)Index of Refraction: 1.419; (14)Molar Refractivity: 39.77 cm3; (15)Molar Volume: 157.4 cm3; (16)Polarizability: 15.76×10-24cm3; (17)Surface Tension: 33.8 dyne/cm; (18)Enthalpy of Vaporization: 46.18 kJ/mol; (19)Vapour Pressure: 0.0874 mmHg at 25°C.
Preparation: this chemical can be prepared by acetyl bromide and [1,3]dioxolane. This reaction will need reagent sodium acetate and solvent acetic acid. The reaction time is 1 hour(s) with reaction temperature of 110 ℃. The yield is about 60%.
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Uses of Ethanol,2-[(acetyloxy)methoxy]-, 1-acetate: it can be used to produce 9-(2-acetoxyethoxymethyl)-2-thioadenine. This reaction will need solvent acetonitrile. The reaction time is 2 hour(s). The yield is about 92%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCOCCOC(=O)C)C
(2)InChI: InChI=1/C7H12O5/c1-6(8)11-4-3-10-5-12-7(2)9/h3-5H2,1-2H3
(3)InChIKey: XFEQOLXBMLXKDE-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C7H12O5/c1-6(8)11-4-3-10-5-12-7(2)9/h3-5H2,1-2H3
(5)Std. InChIKey: XFEQOLXBMLXKDE-UHFFFAOYSA-N