102101-33-7

Basic information

• Product Name: methyl (1S,5R,7R)-3-oxo-6-trifluoroacetyl-1-vinyl-2,8-dioxa-6-azabicyclo<3.2.1>octane-7-carboxylate
• Synonyms: methyl (1S,5R,7R)-3-oxo-6-trifluoroacetyl-1-vinyl-2,8-dioxa-6-azabicyclo<3.2.1>octane-7-carboxylate
• CAS NO: 102101-33-7
• Molecular Weight: 309.199
• Mol File: 102101-33-7.mol

Chemical Properties

• CAS DataBase Reference: methyl (1S,5R,7R)-3-oxo-6-trifluoroacetyl-1-vinyl-2,8-dioxa-6-azabicyclo<3.2.1>octane-7-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl (1S,5R,7R)-3-oxo-6-trifluoroacetyl-1-vinyl-2,8-dioxa-6-azabicyclo<3.2.1>octane-7-carboxylate(102101-33-7)
• EPA Substance Registry System: methyl (1S,5R,7R)-3-oxo-6-trifluoroacetyl-1-vinyl-2,8-dioxa-6-azabicyclo<3.2.1>octane-7-carboxylate(102101-33-7)

Safety Data

• Hazardous Substances Data: 102101-33-7(Hazardous Substances Data)

Upstream product

• 57943-82-5 methyl clavulanate 
• 76-05-1 trifluoroacetic acid 

Relevant articles and documents

A 1H, 13C, and 19F Nuclear Magnetic Resonance Study of Rotational Isomerism and Long-range Coupling in Methyl (1S,5R,7R)-1-Ethyl-3-oxo-6-trifluoroacetyl-2,8-dioxa-6-azabicyclooctane-7-carboxylate

The 1H, 13C, and 19F n.m.r. spectra of the title compound show that it exists in solution as a mixture of rotamers about the amide bond.Each rotamer possesses a distinct pattern of long-range 1H, 19F and 13C, 19F couplings.Proton spin-lattice relaxation time experiments have been used to assign the n.m.r. spectra of each rotamer.These assignments show that large values of the long-range couplings are associated with a close spatial approach of the nuclei involved.The title compound was obtained via degradation of methyl clavulanate with acid followed by hydrogenation.