188446-17-5

Basic information

• Product Name: (9S,12S)-12-(Benzyl-tert-butoxycarbonyl-amino)-4-nitro-11-oxo-2-oxa-10-aza-tricyclo[12.2.2.1^3,7]nonadeca-1⁽¹⁷⁾,3,5,7⁽¹⁹⁾,14⁽¹⁸⁾,15-hexaene-9-carboxylic acid methyl ester
• Synonyms: (9S,12S)-12-(Benzyl-tert-butoxycarbonyl-amino)-4-nitro-11-oxo-2-oxa-10-aza-tricyclo[12.2.2.1^3,7]nonadeca-1⁽¹⁷⁾,3,5,7⁽¹⁹⁾,14⁽¹⁸⁾,15-hexaene-9-carboxylic acid methyl ester
• CAS NO: 188446-17-5
• Molecular Weight: 575.618
• Mol File: 188446-17-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (9S,12S)-12-(Benzyl-tert-butoxycarbonyl-amino)-4-nitro-11-oxo-2-oxa-10-aza-tricyclo[12.2.2.1^3,7]nonadeca-1⁽¹⁷⁾,3,5,7⁽¹⁹⁾,14⁽¹⁸⁾,15-hexaene-9-carboxylic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: (9S,12S)-12-(Benzyl-tert-butoxycarbonyl-amino)-4-nitro-11-oxo-2-oxa-10-aza-tricyclo[12.2.2.1^3,7]nonadeca-1⁽¹⁷⁾,3,5,7⁽¹⁹⁾,14⁽¹⁸⁾,15-hexaene-9-carboxylic acid methyl ester(188446-17-5)
• EPA Substance Registry System: (9S,12S)-12-(Benzyl-tert-butoxycarbonyl-amino)-4-nitro-11-oxo-2-oxa-10-aza-tricyclo[12.2.2.1^3,7]nonadeca-1⁽¹⁷⁾,3,5,7⁽¹⁹⁾,14⁽¹⁸⁾,15-hexaene-9-carboxylic acid methyl ester(188446-17-5)

Safety Data

• Hazardous Substances Data: 188446-17-5(Hazardous Substances Data)

Upstream product

• 1080-06-4 L-Tyr-OMe 
• 100-52-7 benzaldehyde 
• 131858-37-2 4-(bromomethyl)-2-fluoro-1-nitrobenzene 
• 160247-84-7 (2S,5R)-2-(3'-fluoro-4'-nitrobenzyl)-5-isopropyl-3,6-dimethoxy-2,5-dihydropyrazine 
• 160247-85-8 (S)-3-fluoro-4-nitrophenylalanine methyl ester 
• 188446-11-9 Bn-Boc-Tyr-OMe 
• 137622-55-0 (S)-2-(Benzyl-tert-butoxycarbonyl-amino)-3-(4-hydroxy-phenyl)-propionic acid 
• 174906-30-0 methyl (S)-N-benzyl-L-tyrosinate 
• 24424-99-5 di-tert-butyl dicarbonate 
• 188446-15-3 (S)-2-[(S)-2-(Benzyl-tert-butoxycarbonyl-amino)-3-(4-hydroxy-phenyl)-propionylamino]-3-(3-fluoro-4-nitro-phenyl)-propionic acid methyl ester 

Relevant articles and documents

Synthesis of (9R,12S)- and (9S,12S)-cycloisodityrosine and their N-methyl derivatives

Full details of the synthesis of (9R,12S)- and (9S,12S)-cycloisodityrosine and their N-methyl derivatives are detailed based on an intramolecular nucleophilic aromatic substitution reaction for formation of the key biaryl ether with 14-membered ring macrocyclization. Their comparison with prior samples and the documentation of a facile C9 epimerization within the natural 9S series are described.