394735-20-7

Basic information

• Product Name: TERT-BUTYL 1-CYANO-3-CYCLOBUTYL-1-HYDROXYPROPAN-2-YLCARBAMATE
• Synonyms: TERT-BUTYL 1-CYANO-3-CYCLOBUTYL-1-HYDROXYPROPAN-2-YLCARBAMATE;[2-Cyano-1-(cyclobutylMethyl)-2-hydroxyethyl]-carbaMic Acid 1,1-DiMethylethyl Ester;N-[2-Cyano-1-(cyclobutylMethyl)-2-hydroxyethyl]-carbaMic Acid 1,1-DiMethylethyl Ester
• CAS NO: 394735-20-7
• Molecular Formula: C₁₃H₂₂N₂O₃
• Molecular Weight: 254.32538
• Product Categories: Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 394735-20-7.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 430.9°C at 760 mmHg
• Flash Point: 214.4°C
• Appearance: /
• Density: 1.115g/cm³
• Vapor Pressure: 3.12E-09mmHg at 25°C
• Refractive Index: 1.498
• Storage Temp.: 2-8°C
• Solubility: Dichloromethane, Ethyl Acetate, Methanol
• PKA: 10.77±0.20(Predicted)
• CAS DataBase Reference: TERT-BUTYL 1-CYANO-3-CYCLOBUTYL-1-HYDROXYPROPAN-2-YLCARBAMATE(CAS DataBase Reference)
• NIST Chemistry Reference: TERT-BUTYL 1-CYANO-3-CYCLOBUTYL-1-HYDROXYPROPAN-2-YLCARBAMATE(394735-20-7)
• EPA Substance Registry System: TERT-BUTYL 1-CYANO-3-CYCLOBUTYL-1-HYDROXYPROPAN-2-YLCARBAMATE(394735-20-7)

Safety Data

• Hazardous Substances Data: 394735-20-7(Hazardous Substances Data)

Usage

Chemical Properties

Colorless Oil

Uses

N-[2-Cyano-1-(cyclobutylMethyl)-2-hydroxyethyl]-carbaMic Acid 1,1-DiMethylethyl Ester is used in the preparation of hepatitis C virus (HCV) NS3 serine protease inhibitor.

InChI:InChI=1/C13H22N2O3/c1-13(2,3)18-12(17)15-10(11(16)8-14)7-9-5-4-6-9/h9-11,16H,4-7H2,1-3H3,(H,15,17)

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 
• 17247-58-4 (Bromomethyl)cyclobutane 
• 1025799-39-6 2-(benzhydrylidene-amino)-3-cyclobutyl-propionic acid ethyl ester 
• 816430-02-1 ethyl 2-(tert-butoxycarbonylamino)-3-cyclobutylpropanoate 
• 394735-17-2 ethyl 2-amino-3-cyclobutylpropanoate 
• 394735-18-3 tert-butyl 3-cyclobutyl-1-(methoxy(methyl)amino)-1-oxopropan-2-ylcarbamate 
• 565456-75-9 2-(tert-butoxycarbonylamino)-3-cyclobutylpropanoic acid 
• 394735-19-4 (2-cyclobutyl-1-formylethyl)carbamic acid tert-butyl ester 
• 75-86-5 2-hydroxy-2-methylpropanenitrile 

Downstream Products

• 394735-22-9 tert-butyl 4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-ylcarbamate 
• 394730-60-0 boceprevir 
• 1036931-36-8 3-amino-4-cyclobutyl-2-hydroxybutanamide hydrochloride 
• 394735-28-5 (1R,2S,5S)-N-(4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)-3-((S)-2-(3-(tert-butyl)ureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicylo[3.1.0]-hexane-2-carboxamide 
• 394735-25-2 {(S)-2-[(1R,2S,5S)-2-(2-Carbamoyl-1-cyclobutylmethyl-2-hydroxy-ethylcarbamoyl)-6,6-dimethyl-3-aza-bicyclo[3.1.0]hex-3-yl]-1-cyclohexyl-2-oxo-ethyl}-carbamic acid tert-butyl ester 

Relevant articles and documents

PROCESS FOR PREPARATION OF BOCEPREVIR AND INTERMEDIATES THEREOF

THE PRESENT INVENTION RELATES TO AN IMPROVED PROCESS FOR THE PREPARATION OF (1R,5S)-N-[3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]-3-[2(S)-[[[(1,1-DIMETHYLETHYL)AMINO]CARBONYL] AMINO]-3,3-DIMETHYL-1-OXOBUTYL]-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEXAN-2(S)-CARBOXAMIDE AND ITS INTERMEDIATES

Novel inhibitors of hepatitis C NS3-NS4A serine protease derived from 2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid

Prolonged hepatitis C infection is the leading cause for cirrhosis of the liver and hepatocellular carcinoma. The etiological agent HCV virus codes a single polyprotein of ～3000 amino acids that is processed with the help of a serine protease NS3A to prod

Controlled-release formulation

Controlled-release dosage formulations including at least one compound of Formulae I to XXVI herein and a controlled-release carrier and methods of treatment using the same are provided.