265989-39-7

Basic information

• Product Name: (6-{2-[3-(2-Benzyloxy-phenylcarbamoyl)-5-(4-fluoro-phenyl)-2-isopropyl-4-phenyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-Butyl Ester
• Synonyms: (6-{2-[3-(2-Benzyloxy-phenylcarbamoyl)-5-(4-fluoro-phenyl)-2-isopropyl-4-phenyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-Butyl Ester;(4R,6R)-6-[2-[2-(4-Fluorophenyl)-5-(1-Methylethyl)-3-phenyl-4-[[[2-(phenylMethoxy)phenyl]aMi;2-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester
• CAS NO: 265989-39-7
• Molecular Formula: C₄₇H₅₃FN₂O₆
• Molecular Weight: 760.9319232
• Product Categories: Intermediates;Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 265989-39-7.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 765.925°C at 760 mmHg
• Flash Point: 417.017°C
• Appearance: /
• Density: 1.154g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.574
• Solubility: Acetone, Chloroform, Dichloromethane, Ethyl Acetate
• PKA: 12.95±0.70(Predicted)
• CAS DataBase Reference: (6-{2-[3-(2-Benzyloxy-phenylcarbamoyl)-5-(4-fluoro-phenyl)-2-isopropyl-4-phenyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-Butyl Ester(CAS DataBase Reference)
• NIST Chemistry Reference: (6-{2-[3-(2-Benzyloxy-phenylcarbamoyl)-5-(4-fluoro-phenyl)-2-isopropyl-4-phenyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-Butyl Ester(265989-39-7)
• EPA Substance Registry System: (6-{2-[3-(2-Benzyloxy-phenylcarbamoyl)-5-(4-fluoro-phenyl)-2-isopropyl-4-phenyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-Butyl Ester(265989-39-7)

Safety Data

• Hazardous Substances Data: 265989-39-7(Hazardous Substances Data)

Usage

Description

(6-2-[3-(2-Benzyloxy-phenylcarbamoyl)-5-(4-fluoro-phenyl)-2-isopropyl-4-phenyl-pyrrol-1-yl]-ethyl-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-Butyl Ester is a complex organic compound with a molecular structure that features a carbamoyl group, a fluorophenyl group, and a pyrrol ring. It is characterized by its yellow foamy solid appearance.

Uses

Used in Pharmaceutical Industry:
(6-2-[3-(2-Benzyloxy-phenylcarbamoyl)-5-(4-fluoro-phenyl)-2-isopropyl-4-phenyl-pyrrol-1-yl]-ethyl-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-Butyl Ester is used as an intermediate for Atorvastin metabolites, which are selective, competitive HMG-CoA reductase inhibitors. Atorvastin is specifically indicated for lowering both elevated LDL-cholesterol and triglycerides in patients with hypercholesterolemia, making this compound an essential component in the development and production of cholesterol-lowering medications.

InChI:InChI=1/C47H53FN2O6/c1-31(2)43-42(45(52)49-38-20-14-15-21-39(38)53-30-32-16-10-8-11-17-32)41(33-18-12-9-13-19-33)44(34-22-24-35(48)25-23-34)50(43)27-26-36-28-37(55-47(6,7)54-36)29-40(51)56-46(3,4)5/h8-25,31,36-37H,26-30H2,1-7H3,(H,49,52)/t36-,37-/m1/s1

Upstream product

• 125971-86-0 tert-butyl [(4R,6R)-6-aminoethyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate 
• 887355-33-1 4-methyl-3-oxo-N-(2-benzyloxyphenyl)-2-[1-phenyl-2-(4-fluorophenyl)-2-oxoethyl]pentanamide 
• 20012-63-9 o-(benzyloxy)aniline 
• 4560-41-2 2-benzyloxynitrobenzene 
• 265989-31-9 N-(2-(benzyloxy)phenyl)-4-methyl-3-oxopentanamide 
• 163217-77-4 4-Methyl-3-oxo-2-[1-phenyl-meth-(Z)-ylidene]-pentanoic acid (2-benzyloxy-phenyl)-amide 
• 42558-54-3 Methyl 4-methyl-3-oxopentanoate 
• 95-55-6 2-amino-phenol 
• 186663-74-1 tert-butyl (2-hydroxyphenyl)carbamate 
• 186663-07-0 tert-butyl (2-(benzyloxy)phenyl)carbamate 

Downstream Products

• 265989-40-0 ((4R,6R)-6-{2-[2-(4-Fluoro-phenyl)-4-(2-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]dioxan-4-yl)-acetic acid tert-butyl ester 
• 163217-74-1 o-Hydroxyatorvastatin lactone 
• 214217-86-4 o-Hydroxyatorvastatin 
• 1346599-89-0 (3R,5R)-7-[2-(4-Fluoro-phenyl)-4-(2-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-pyrrol-1-yl]-3,5-dihydroxy-heptanoic acid tert-butyl ester 

Relevant articles and documents

IMPROVED PROCESS FOR THE PREPARATION OF [3R,5R]-2-FLUOROPHENYL-β,δ- DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-[(2-HYDROXYPHENYLAMINO)- CARBONYL]-1H-PYRROLE-1-HEPTANOIC ACID, SODIUM SALT

The present invention relates to an improved process for the preparation of [3R,5R]-2-fluorophenyl-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(2-hydroxyphenylamino)-carbonyl]-1H-pyrrole-1-heptanoic acid sodium salt compound of formula- 1 represented by the following structural formula: