1116118-82-1

Basic information

• Product Name: ((4R,6R)-6-{2-[2-((4R,6R)-6-{2-[2-(4-fluoro-phenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]dioxan-4-yl)-acetylamino]-ethyl}-2,2-dimethyl-[1,3]dioxan-4-yl)-acetic acid tert-butyl ester
• Synonyms: ((4R,6R)-6-{2-[2-((4R,6R)-6-{2-[2-(4-fluoro-phenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]dioxan-4-yl)-acetylamino]-ethyl}-2,2-dimethyl-[1,3]dioxan-4-yl)-acetic acid tert-butyl ester
• CAS NO: 1116118-82-1
• Molecular Weight: 854.072
• Mol File: 1116118-82-1.mol
• Article Data: 1

Chemical Properties

• Melting Point: 128-129°C
• CAS DataBase Reference: ((4R,6R)-6-{2-[2-((4R,6R)-6-{2-[2-(4-fluoro-phenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]dioxan-4-yl)-acetylamino]-ethyl}-2,2-dimethyl-[1,3]dioxan-4-yl)-acetic acid tert-butyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: ((4R,6R)-6-{2-[2-((4R,6R)-6-{2-[2-(4-fluoro-phenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]dioxan-4-yl)-acetylamino]-ethyl}-2,2-dimethyl-[1,3]dioxan-4-yl)-acetic acid tert-butyl ester(1116118-82-1)
• EPA Substance Registry System: ((4R,6R)-6-{2-[2-((4R,6R)-6-{2-[2-(4-fluoro-phenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]dioxan-4-yl)-acetylamino]-ethyl}-2,2-dimethyl-[1,3]dioxan-4-yl)-acetic acid tert-butyl ester(1116118-82-1)

Safety Data

• Hazardous Substances Data: 1116118-82-1(Hazardous Substances Data)

Usage

Uses

A useful intermediate in the preparation of the pyrrole intermediate for atorvastatin.

Upstream product

• 125971-86-0 tert-butyl [(4R,6R)-6-aminoethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate 
• 125971-96-2 2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxopentanoic acid phenylamide 

Relevant articles and documents

AN IMPROVED PROCESS FOR SYNTHESIS OF PYRROLE DERIVATIVE, AN INTERMEDIATE FOR ATORVASTATIN

The present invention also relates to a novel impurity, (6-{2-[2-(6-{2-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoyl-pyrrol-1-yl]-ethyl }-2,2-dimethyl-[1,3]-dioxan-4-yl)-acetylamino]-ethyl}-2,2-dimethyl-[1,3]-dioxan-4-yl)-acetic acid tert-butyl ester, the compound of formula IV, having the following structure: The present invention also provides methods of preparing the compound of formula rv as well as methods of using the compound of formula IV as a reference marker and a reference standard. The present invention also provides an improved process for preparing (4R,cis)-6-[2- [3-phenyl-4-(phenyl-carbamoyl)-2-(4-fluorophenyl)-5-(1-methyl-ethyl)-pyrrole-1-yl]- 2,2-dimethyl-[1,3] dioxane-4-yl-acetic acid-tertiary butyl ester, the compound of formula I, said process comprising the step of condensing 4-fluoro-α-[2-methyl-1- oxopropyl]-γ-oxo-N,β-diphenylbenzene butanamide, the compound of formula III, with (4R,Cis)-1,1-dimethylethyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4- acetate, the compound of formula II, in the presence of a catalytic amount of an acid in the presence of a solvent system, preferably a binary solvent system, to obtain the desired compound (4R,cis)-6-[2-[3-phenyl-4-(phenyl-carbamoyl)-2-(4-fluorophenyl)- 5-(1-methyl-ethyl)-pyrrole-1-yl]-2,2-dimethyl-[1,3] dioxane-4-yl-acetic acid-tertiary butyl ester.