Basic information
- Name:
Ethanol,2-[(acetyloxy)methoxy]-, 1-acetate
- Superlist Name:
- 2-[(Acetyloxy)methoxy]ethyl acetate
- CAS No.:
59278-00-1
- Molecular Structure:
![Molecular Structure of 59278-00-1 (Ethanol,2-[(acetyloxy)methoxy]-, 1-acetate)](http://www.lookchem.com/300w/2010/068/59278-00-1.jpg)
- Formula:
- C7H12O5
- Molecular Weight:
- 176.1672
- 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
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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