16005-57-5

Basic information

• Product Name: N,N'-diphenylbutoxymethanimidamide
• Synonyms: N,N'-diphenylbutoxymethanimidamide
• CAS NO: 16005-57-5
• Molecular Weight: 268.359
• Mol File: 16005-57-5.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: N,N'-diphenylbutoxymethanimidamide(CAS DataBase Reference)
• NIST Chemistry Reference: N,N'-diphenylbutoxymethanimidamide(16005-57-5)
• EPA Substance Registry System: N,N'-diphenylbutoxymethanimidamide(16005-57-5)

Safety Data

• Hazardous Substances Data: 16005-57-5(Hazardous Substances Data)

Upstream product

• 103-72-0 phenyl isothiocyanate 
• 103-71-9 phenyl isocyanate 
• 5593-70-4 titanium (IV) butoxide 
• 124-38-9 carbon dioxide 
• 622-16-2 1,3-Diphenylcarbodiimide 

Relevant articles and documents

Metathesis of carbon dioxide and phenyl isocyanate catalysed by group(IV) metal alkoxides: An experimental and computational study

The insertion reactions of zirconium(IV) n-butoxide and titanium(IV) n-butoxide with a heterocumulene like carbodiimide, carbon dioxide or phenyl isocyanate are compared. Both give an intermediate which carries out metathesis at elevated temperatures by inserting a second heterocumulene in a head-to-head fashion. The intermediate metallacycle extrudes a new heterocumulene, different from the two that have inserted leading to metathesis. As the reaction is reversible, catalytic metathesis is feasible. In stoichiometric reactions heterocumulene insertion, metathesis and metathesis cum insertion products are observed. However, catalytic amounts of the metal alkoxide primarily led to metathesis products. It is shown that zirconium alkoxides promote catalytic metathesis (isocyanates, carbon dioxide) more efficiently than the corresponding titanium alkoxide. The difference in the metathetic activity of these alkoxides has been explained by a computational study using model complexes Ti(OMe) 4 (1bTi) and Zr(OMe)4 (1bZr). The computation was carried out at the B3LYP/LANL2DZ level of theory. Indian Academy of Sciences.