1,3-Dioxane-4-aceticacid, 6-(cyanomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)- (125971-94-0),1,3-Dioxane-4-aceticacid, 6-(cyanomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)- (125971-94-0) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
1,3-Dioxane-4-aceticacid, 6-(cyanomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-
Superlist Name:
(4R,6R)-tert-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
CAS No.:
125971-94-0
Molecular Structure:
Formula:
C₁₄H₂₃NO₄
Molecular Weight:
269.34
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);
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 Description:
24/25 Details

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Chemistry

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

Uses

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 Profile

Safety Statements: 24/25
S24/25: Avoid contact with skin and eyes
WGK Germany: 3

Specification

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 .