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(4r,6r)-Tert-Butyl-6-Cyanomethyl-2,2-Dimethyl-1,3-Dioxane-4-Acetate

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(4R,6R)-Tert-Butyl-6-Cyanomethyl-2,2-Dimethyl-1,3-Dioxane-4-Acetate / CAS : 125971-94-0

Appearance White to yellowish crystalline powder UN -
HS 29329990 DG Class -
Synonyms ATS-8; Tert-Butyl (4R,6R)-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,6R)-6-Cyanomethyl-2,2-Dimethyl-1,3-Dioxane-4-Acetic Acid Tert-Butyl Ester; Tert-Butyl 6-Cyanomethyl-2,2-Dimethyl-1,3-Dioxolane-4-Acetate; (4R,6R)-T-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; (4R-Cis)-1,1-Dimethylethyl-6-Cyanomethyl-2,2-Dimethyl-1,3-Dioxane-4-Acetate (Ats-8); Tert-Butyl[(4R,6R)-6-Cyanomethyl-2,2-Dimethyl-1,3-Dioxan-4-Yl]Acetate; Atorvastatin Calcium Intermediate ats-8; ATS-8: (4R-cis)-1,1-Dimethylethyl-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 (ATS-8)
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Overview

Uses

Properties

Summary

Formula
C14H23NO4
Molecular Mass
269.33700
Exact Mass
269.16300
PSA
68.55000
Logp
2.54208
IUPAC
tert-butyl 2-[(4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
SMILES
CC1(O[C@@H](C[C@@H](O1)CC(=O)OC(C)(C)C)CC#N)C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Melting Point
65-69 °C
Density
1.016 g/cm3
Boiling Point
364.1ºC
Flash Point
159.2ºC
Appearance
White to yellowish crystalline powder
Acidity and Basicity
neutral

Export information

HS Code
29329990
Export Rebate
13%

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