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Atorvastatin Acetonide Tert-Butyl Ester

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Atorvastatin Acetonide tert-Butyl Ester / CAS : 125971-95-1

Appearance White to whitish powder UN 2811 6.1 / PGII
HS 29349990 DG Class 0.0
Synonyms Atorvastatin Intermediate L1; Atorvastatin Intermediate L-1; Atorvastatin Calcium Intermediate; tert-Butyl (4R,6R)-2-[[[6-(2-4-Fluorophenyl)-5-Isopropyl-3-Phenyl-4-(Phenylcarbamoyl)Pyrrol-1-yl]Ethyl]-2,2-Dimethyl-1,3-Dioxan-4-yl]Acetate; tert-Butyl 2-((4R,6R)-6-(2-(2-(4-Fluorophenyl)-5-Isopropyl-3-Phenyl-4-(Phenylcarbamoyl)-1H-Pyrrol-1-yl)Ethyl)-2,2-Dimethyl-1,3-Dioxan-4-yl)Acetate; (4R-Cis)-1,1-Dimethylethyl-6-[2-[2-(4-Fluorophenyl)-5-(1-Isopropyl)-3-Phenyl-4-[(Phenylamino)Carbonyl]-1H-Pyrrol-1-yl]Ethyl]-2,2-Dimethyl-1,3-Dioxane-4-Acetate
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Properties

Summary

Formula
C40H47FN2O5
Molecular Mass
654.81000
Exact Mass
654.34700
PSA
78.79000
Logp
9.44200
IUPAC
tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
SMILES
CC(C)C1=C(C(=C(N1CCC2CC(OC(O2)(C)C)CC(=O)OC(C)(C)C)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Melting Point
144-148ºC
Density
1.15 g/cm3
Boiling Point
678.035ºC at 760 mmHg
Flash Point
363.863ºC
Appearance
White to whitish powder
Acidity and Basicity
acidness

Export information

HS Code
29349990
Export Rebate
10
UN No.
2811 6.1 / PGII
DG-Class
0.0

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