1352167-37-3

Basic information

• Product Name: C₁₆H₂₁⁽²⁾H₂N
• CAS NO: 1352167-37-3
• Molecular Weight: 231.349
• Mol File: 1352167-37-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₁₆H₂₁⁽²⁾H₂N(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₆H₂₁⁽²⁾H₂N(1352167-37-3)
• EPA Substance Registry System: C₁₆H₂₁⁽²⁾H₂N(1352167-37-3)

Safety Data

• Hazardous Substances Data: 1352167-37-3(Hazardous Substances Data)

Upstream product

• 100-46-9 benzylamine 
• 10264-14-9 N-benzylbutyramide 
• 1352167-46-4 C₁₁H₁₅⁽²⁾H₂N 
• 77758-50-0 4-pentynyl-1-tosylate 

Downstream Products

• 1352167-38-4 C₁₆H₂₁⁽²⁾H₂NO 

Relevant articles and documents

Mechanism of gold(I)-catalyzed rearrangements of acetylenic amine-N-oxides: Computational investigations lead to a new mechanism confirmed by experiment

Figure Persented: Quantum mechanical studies of the mechanism of gold-catalyzed rearrangements of acetylenic amine-N-oxides to piperidinones or azepanones have revealed a new mechanism involving a concerted heteroretroene reaction, formally a 1,5 hydrogen shift from the N-alkyl groups to the vinyl position of a gold-coordinated methyleneisoxazolidinium or methyleneoxazinanium. Density functional calculations (B3LYP, B3LYP-D3) on the heteroretroene mechanism reproduce experimental regioselectivities and provide an explanation as to why the hydrogen is transferred from the smaller amine substituent. In support of the proposed mechanism, new experimental investigations show that the hydrogen shift is concerted and that gold carbenes are not involved as reaction intermediates.