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| CAS No.: | 125971-94-0 |
|---|---|
| Name: | (4R,6R)-tert-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C14H23NO4 |
| Molecular Weight: | 269.341 |
| Synonyms: | 1,3-Dioxane-4-aceticacid, 6-(cyanomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R-cis)-;(6R-Cyanomethyl-2,2-dimethyl-[1,3]dioxan-4R-yl)acetic acid tert-butylester;(4R-cis)-1,1-Dimethylethyl-6-Cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate(ATS-8); |
| EINECS: | 425-780-3 |
| Density: | 1.016 g/cm3 |
| Melting Point: | 65-69 °C |
| Boiling Point: | 364.1 °C at 760 mmHg |
| Flash Point: | 159.2 °C |
| Appearance: | white to light yellow crystal powder |
| Safety: | 24/25 |
| PSA: | 68.55000 |
| LogP: | 2.54208 |
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The Molecular Structure of 1,3-Dioxane-4-aceticacid, 6-(cyanomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)- (CAS NO.125971-94-0):
Empirical Formula: C14H23NO4
Molecular Weight: 269.3367
IUPAC Name: tert-butyl 2-[(4R,6S)-6-(cyanomethyl)-5,5-dimethyl-1,3-dioxan-4-yl]acetate
Product Categories: Chemical intermediate for Atorvastatin Calcium;intermediatesofatorvastatin;chiral;(intermediate of atorvastatin);Chiral BuildingBlocks;Cyanides/Nitriles;Organic Building Blocks
Appearance: white to light yellow crystal powder
Nominal Mass: 269 Da
Average Mass: 269.3367 Da
Monoisotopic Mass: 269.162708 Da
Index of Refraction: 1.439
Molar Refractivity: 69.81 cm3
Molar Volume: 265 cm3
Surface Tension: 35.7 dyne/cm
Density: 1.016 g/cm3
Flash Point: 159.2 °C
Enthalpy of Vaporization: 61.02 kJ/mol
Boiling Point: 364.1 °C at 760 mmHg
Vapour Pressure: 1.73E-05 mmHg at 25°C
1,3-Dioxane-4-aceticacid, 6-(cyanomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)- (CAS NO.125971-94-0) is used as a pharmaceutical intermediate of atorvastatin.
Safety Statements: 24/25
S24/25: Avoid contact with skin and eyes
WGK Germany: 3
1,3-Dioxane-4-aceticacid, 6-(cyanomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)- (CAS NO.125971-94-0) is also called as (4R,6R)-t-butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate ; (4R,6R)-tert-butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate ; (4R,cis)-1,1-dimethylethyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate ; (4R,3R)-tert-butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate ; tert-butyl (4R,3R)-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate ; tert-butyl[(4R,6R)-6-cyanomethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate ; (4R-cis)-1,1-dimethylethyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate (ats-8) ; tert-butyl 2-[(4R,6S)-6-(cyanomethyl)-5,5-dimethyl-1,3-dioxan-4-yl]acetate .
