1333204-94-6

Basic information

• Product Name: Entecavir Impurity
• Synonyms: Entecavir Impurity;Entecavir Hydrate IMP
• CAS NO: 1333204-94-6
• Molecular Formula: C12H15N5O3
• Molecular Weight: 277.2792
• Mol File: 1333204-94-6.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 661.4±65.0 °C(Predicted)
• Appearance: /
• Density: 1.81±0.1 g/cm3(Predicted)
• PKA: 14.22±0.60(Predicted)
• CAS DataBase Reference: Entecavir Impurity(CAS DataBase Reference)
• NIST Chemistry Reference: Entecavir Impurity(1333204-94-6)
• EPA Substance Registry System: Entecavir Impurity(1333204-94-6)

Safety Data

• Hazardous Substances Data: 1333204-94-6(Hazardous Substances Data)

Usage

Uses

(1R,3S,4S)-Entecavir is an impurity of Entecavir (E558900).

Upstream product

• 1435752-55-8 ((1R,3S,5S)-5-acetoxy-3-(2-amino-6-oxo-1H-purin-9(6H)-yl)-2-methylenecyclopentyl)methyl 4-nitrobenzoate 
• 10310-21-1 2-Amino-6-chloropurin 
• 1435752-48-9 ((1R,3S,5S)-5-acetoxy-3-(2-amino-6-chloro-9H-purin-9-yl)-2-methylenecyclopentyl)methyl 4-nitrobenzoate 
• 1435752-42-3 ((1R,3R,5S)-5-acetoxy-3-hydroxy-2-methylenecyclopentyl)methyl 4-nitrobenzoate 
• 1435752-36-5 ((1R,3R,5S)-5-acetoxy-3-(tert-butyldimethylsilyloxy)-2-methylenecyclopentyl)methyl 4-nitrobenzoate 
• 1383812-10-9 ((1R,3R,5S)-5-acetoxy-3-(tert-butyldimethylsilyloxy)-2-methylenecyclopentyl)methyl acetate 
• 1383812-22-3 ((1 R,3S,5S)-5-acetoxy-3-(2-amino-6-chloro-9H-purin-9-yl)-2-methylenecyclopentyl)methyl acetate 
• 701278-65-1 (1S,2R,4R)-4-((tert-butyldimethylsilyl)oxy)-2-(hydroxymethyl)-3-methylenecyclopentanol 
• 1383812-06-3 (1S,2R,4R)-4-(tert-butyldimethylsilyloxy)-2-(hydroxymethyl)-3-methylenecyclopentyl acetate 
• 1383812-02-9 (1S,3R)-3-(tert-butyldimethylsilyloxy)-1-(oxiran-2-yl)pent-4-ynyl acetate 
• 1383811-94-6 (3S,5R)-5-(tert-butyldimethylsilyloxy)hept-1-en-6-yn-3-ol 
• 1383811-90-2 (3S,5R)-5-(tert-butyldimethylsilyloxy)-7-(trimethylsilyl)hept-1-en-6-yn-3-ol 
• 1383811-86-6 (3S,5R)-7-(trimethylsilyl)hept-1-en-6-yne-3,5-diol 
• 1383811-98-0 (1S,3R)-3-(tert-butyldimethylsilyloxy)-1-(oxiran-2-yl)pent-4-yn-1-ol 

Relevant articles and documents

Process for preparing entecavir and intermediates thereof

It comprises the preparation of entecavir of formula (I), or a pharmaceutically acceptable salt thereof, or a hydrate thereof by submitting a compound of formula (III) where X is an halogen selected from Cl, Br, and I, first to a hydrolysis reaction using formic acid and then to a deprotection reaction, and isolating the entecavir either as free base or as a pharmaceutically acceptable salt. It also comprises intermediates which intervene in this preparation process.