Isosorbide-2-Acetate
- CAS NO.:13042-39-2
- Empirical Formula: C8H12O5
- Molecular Weight: 188.18
- MDL number: MFCD09264290
- EINECS: 235-917-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-05-24 21:37:54
What is Isosorbide-2-Acetate?
Chemical properties
Isosorbide-2-acetate is a colourless, crystalline substance with a melting point of 75°-76°C. It has a TLC (diethyl ether) value of Rf=0.28 and a specific rotation of [α]D 20 =+77.1° (c=1.12, ethyl acetate). It is an important intermediate in the synthesis of isosorbide-5-mononitrate, a well-known organic nitrate drug.
The Uses of Isosorbide-2-Acetate
1,4:3,6-Dianhydro-2-O-acetyl-D-glucitol is a useful reagent in the practical enzymic synthesis of isosorbide-2-acetate.
Preparation
The synthesis of isosorbide-2-acetate involves dissolving 2.30 g (10 mmol) of isosorbide-2,5-diacetate in 15 ml of acetone and 5 ml of n-heptanol. Then, 200 mg of lipase from Pseudomonas fluorescens (SAM II, Amano Pharmaceuticals) is added, and the mixture is stirred at room temperature for 2 days. After that, the enzyme is removed by filtration, and the resulting solid is washed thoroughly with acetone. The solvent, excess n-heptanol, and heptyl acetate residue are removed by distillation.
The yield is 1.71 g (9.09 mmol) of isosorbide-2-acetate, which is a colourless crystalline substance with a melting point of 75°-76°C. The overall yield is 91%.
US5538891A
Properties of Isosorbide-2-Acetate
Melting point: | 78 °C |
Boiling point: | 323.0±42.0 °C(Predicted) |
Density | 1.34±0.1 g/cm3(Predicted) |
pka | 13.35±0.40(Predicted) |
Safety information for Isosorbide-2-Acetate
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Isosorbide-2-Acetate
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