1415657-98-5

Basic information

• Product Name: tert-butyl ((S)-3-(1H-imidazol-4-yl)-1-((S)-3-(((3-iodobenzyl)oxy)-methyl)-3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl)-carbamate
• Synonyms: tert-butyl ((S)-3-(1H-imidazol-4-yl)-1-((S)-3-(((3-iodobenzyl)oxy)-methyl)-3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl)-carbamate
• CAS NO: 1415657-98-5
• Molecular Weight: 616.499
• Mol File: 1415657-98-5.mol

Chemical Properties

• CAS DataBase Reference: tert-butyl ((S)-3-(1H-imidazol-4-yl)-1-((S)-3-(((3-iodobenzyl)oxy)-methyl)-3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl)-carbamate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-butyl ((S)-3-(1H-imidazol-4-yl)-1-((S)-3-(((3-iodobenzyl)oxy)-methyl)-3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl)-carbamate(1415657-98-5)
• EPA Substance Registry System: tert-butyl ((S)-3-(1H-imidazol-4-yl)-1-((S)-3-(((3-iodobenzyl)oxy)-methyl)-3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl)-carbamate(1415657-98-5)

Safety Data

• Hazardous Substances Data: 1415657-98-5(Hazardous Substances Data)

Upstream product

• 1415657-96-3 tert-butyl (S)-3-(((3-iodobenzyl)oxy)methyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate 
• 183958-71-6 tert-butyl (3S)-3-(hydroxymethyl)-3,4-dihydroisoquinoline-2(1H)-carboxylate 
• 1415657-99-6 (S)-3-(((3-iodobenzyl)oxy)methyl)-1,2,3,4-tetrahydroisoquinoline 
• 17791-52-5 N-(tert-butoxycarbonyl)-L-histidine 
• 49617-83-6 m-Iodobenzyl bromide 

Relevant articles and documents

Macrocyclizations for medicinal chemistry: Synthesis of druglike macrocycles by high-concentration ullmann coupling

Conditions have been identified for the efficient Ullmann macrocyclization of phenol and imidazole nucleophiles with aryl iodides at high reaction concentrations of up to 100 mM and using 5-10 mol % loading of an inexpensive copper catalyst. A range of substitution patterns and ring sizes are tolerated, and the method has been exemplified by the synthesis of a set of druglike macrocycles.