1198074-57-5

Basic information

• Product Name: C₃₃H₅₀N₁₀O₂
• CAS NO: 1198074-57-5
• Molecular Weight: 618.826
• Mol File: 1198074-57-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₃₃H₅₀N₁₀O₂(CAS DataBase Reference)
• NIST Chemistry Reference: C₃₃H₅₀N₁₀O₂(1198074-57-5)
• EPA Substance Registry System: C₃₃H₅₀N₁₀O₂(1198074-57-5)

Safety Data

• Hazardous Substances Data: 1198074-57-5(Hazardous Substances Data)

Upstream product

• 1198074-46-2 N₂,N₃-diisobutylpyrazine-2,3-diamine 
• 91-08-7 2,6-Toluene diisocyanate 

Relevant articles and documents

Design and synthesis of urea-linked aromatic oligomers-a route towards convoluted foldamers

Herein we report the design and synthesis of crescent-shaped and helical urea-based foldamers, the curvature of which is controlled by varying the constituent building blocks and their connectivity. These oligomers are comprised of two, three or five alternating aromatic heterocycles (pyridazine, pyrimidine or pyrazine) and methyl-substituted aromatic carbocycles (tolyl, o-xylyl or m-xylyl) connected together through urea linkages. A crescent-shaped conformational preference is encoded within these π-conjugated urea-linked oligomers based on intramolecular hydrogen bonding and steric interactions; the degree of curvature is tuned by the urea connectivity to the heterocycles and the aryl groups. NMR characterization of these foldamers confirms the intramolecular hydrogen-bonded conformation expected (Z,E configuration of the urea bond) in both the pyridazyl and pyrimidyl foldamers in solution. An X-ray crystal structure of the N3,N6-diisobutylpyridazine-4,6- diamine-o-tolyl urea-linked foldamer (4) confirms the presence of N-H...N hydrogen bonds between the heterocyclic nitrogen atom and the free hydrogen of the urea linkage. Additionally, the tolyl methyl group interacts unfavourably with the urea carbonyl oxygen, thus destabilising the alternate planar conformation.