159878-04-3

Basic information

• Product Name: [3S-(3S,4aS,8aS,2’R,3’R)]-2-[3’-N-CBz-amino-2’-hydroxy-4’-(phenyl)thio]butyldecahydroisoquinoline-3-N-t-butylcarboxamide
• Synonyms: [3S-(3S,4aS,8aS,2’R,3’R)]-2-[3’-N-CBz-amino-2’-hydroxy-4’-(phenyl)thio]butyldecahydroisoquinoline-3-N-t-butylcarboxamide;[(1R,2R)-3-[(3S,4aS,8aS)-3-[[(1,1-DiMethylethyl)aMino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-[(phenylthio)Methyl]propyl]carbaMic Acid PhenylMethyl Ester;benzyl ((2R,3R)-4-((3S,4aS,8aS)-3-(tert-butylcarbaMoyl)octahydroisoquinolin-2(1H)-yl)-3-hydroxy-1-(phenylthio)butan-2-yl)carbaMate;[3S-(3S,4aS,8aS,2'R,3'R)]-2-[3'-N-CBz-amino-2'-hydroxy-4'-(phenyl)thio]butyldecahydroisoquinoline-3-N-t-butylcarboxamide-8
• CAS NO: 159878-04-3
• Molecular Formula: C₃₂H₄₅N₃O₄S
• Molecular Weight: 567.7824
• Product Categories: Aromatics;Heterocycles;Intermediates;Miscellaneous Reagents;Sulfur & Selenium Compounds;Aromatics, Heterocycles, Intermediates, Miscellaneous Reagents, Sulfur & Selenium Compounds
• Mol File: 159878-04-3.mol
• Article Data: 3

Chemical Properties

• Melting Point: 130-134?C
• Boiling Point: 767.753°C at 760 mmHg
• Flash Point: 418.122°C
• Appearance: /
• Density: 1.201g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.604
• Storage Temp.: Refrigerator
• Solubility: Chloroform (Slightly, Sonicated), Methanol (Slightly)
• CAS DataBase Reference: [3S-(3S,4aS,8aS,2’R,3’R)]-2-[3’-N-CBz-amino-2’-hydroxy-4’-(phenyl)thio]butyldecahydroisoquinoline-3-N-t-butylcarboxamide(CAS DataBase Reference)
• NIST Chemistry Reference: [3S-(3S,4aS,8aS,2’R,3’R)]-2-[3’-N-CBz-amino-2’-hydroxy-4’-(phenyl)thio]butyldecahydroisoquinoline-3-N-t-butylcarboxamide(159878-04-3)
• EPA Substance Registry System: [3S-(3S,4aS,8aS,2’R,3’R)]-2-[3’-N-CBz-amino-2’-hydroxy-4’-(phenyl)thio]butyldecahydroisoquinoline-3-N-t-butylcarboxamide(159878-04-3)

Safety Data

• Hazardous Substances Data: 159878-04-3(Hazardous Substances Data)

Usage

Chemical Properties

White Solid

Uses

An intermediate in the synthesis of Nelfinavir.

InChI:InChI=1/C32H45N3O4S/c1-32(2,3)34-30(37)28-18-24-14-10-11-15-25(24)19-35(28)20-29(36)27(22-40-26-16-8-5-9-17-26)33-31(38)39-21-23-12-6-4-7-13-23/h4-9,12-13,16-17,24-25,27-29,36H,10-11,14-15,18-22H2,1-3H3,(H,33,38)(H,34,37)/t24-,25+,27-,28-,29+/m0/s1

Upstream product

• 128019-40-9 (3S,4aS,8aS)-N-tert-butyl-decahydroisoquinoline-3-carboxamide 
• 163462-16-6 benzyl [(1R)-1-[(2S)-2-oxiranyl]-2-(phenylsulfanyl)ethyl]carbamate 
• 197302-36-6 (1S,2R)-2-[(benzyloxycarbonyl)amino]-1-[2-(1,3-dithianyl)]-3-(phenylthio)-1-propanol 
• 197302-34-4 ((R)-1-Dimethylcarbamoyl-2-phenylsulfanyl-ethyl)-carbamic acid benzyl ester 
• 197302-33-3 benzyl [(2R)-1-[methoxy(methyl)amino]-1-oxo-3-(phenylsulfanyl)-2-propanyl]carbamate 
• 82611-65-2 N-benzyloxycarbonyl-S-phenyl-L-cysteine 
• 188923-25-3 (2R,3R)-3-benzyloxycarbonylamino-4-phenylthio-1,2-butanediol 
• 188923-22-0 (5R,6S)-6-benzyloxycarbonylamino-2,2-dimethyl-5-hydroxy-1,3-dioxepane 
• 188923-23-1 N-{(2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl}carbamic acid benzyl ester 
• 65-85-0 benzoic acid 
• 501-53-1 benzyl chloroformate 
• 197302-37-7 ((1R,2S)-2-Hydroxy-3-oxo-1-phenylsulfanylmethyl-propyl)-carbamic acid benzyl ester 
• 188923-26-4 (2R,3R)-3-benzyloxycarbonylamino-4-phenylthio-2-methanesulfonyloxy-1-(4-nitrobenzoyloxy)butane 
• 197302-35-5 ((R)-2-[1,3]Dithian-2-yl-2-oxo-1-phenylsulfanylmethyl-ethyl)-carbamic acid benzyl ester 

Downstream Products

• 159989-64-7 nelfinavir 
• 159878-05-4 (3S,4AS,8AS)-2-((2R,3R)-3-amino-2-hydroxy-4-phenylthiobutyl)-decahydroisoquinoline-3-carboxylic acid t-butylamide 

Relevant articles and documents

Method of making a HIV-Protease inhibitor

The present invention is directed to a method of making the HIV-protease inhibitor nelfinavir mesylate.

A concise formal synthesis of the potent HIV protease inhibitor nelfinavir mesylate

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