Description

The compound (3AS,4S,7R,7AS)-6-Benzyl-2,2-dimethyltetrahydro-4H-4,7-methano[1,3]dioxolo[4,5-D][1,2]oxazine (CAS: 155855-51-9) is a highly specialized chiral oxazine derivative with a molecular formula of C₁₅H₁₉NO₃. Its IUPAC name is (1R,2S,6S,7S)-9-benzyl-4,4-dimethyl-3,5,8-trioxa-9-azatricyclo[5.2.1.0^2,6]decane. This bicyclic structure features a benzyl group and a rigid methano[1,3]dioxolooxazine framework, making it a valuable intermediate for asymmetric synthesis and pharmaceutical research. The compound is supplied as a high-purity solid (>95%) with strict quality control, ensuring reproducibility in sensitive applications. Its stereochemistry and functional groups render it particularly useful for constructing complex heterocycles or as a chiral auxiliary in enantioselective reactions.

Properties

• CAS Number: 155855-51-9
• Complexity: 353
• IUPAC Name: (1R,2S,6S,7S)-9-benzyl-4,4-dimethyl-3,5,8-trioxa-9-azatricyclo[5.2.1.02,6]decane
• InChI: InChI=1S/C15H19NO3/c1-15(2)17-13-11-8-12(14(13)18-15)19-16(11)9-10-6-4-3-5-7-10/h3-7,11-14H,8-9H2,1-2H3/t11-,12+,13+,14-/m1/s1
• InChI Key: OAALGCYGQQFZOQ-ZOBORPQBSA-N
• Exact Mass: 261.13649347
• Molecular Formula: C15H19NO3
• Molecular Weight: 261.32
• SMILES: CC1(O[C@H]2[C@H]3C[C@@H]([C@H]2O1)ON3CC4=CC=CC=C4)C
• Topological: 30.9
• Monoisotopic Mass: 261.13649347
• Synonyms: SCHEMBL15058360, G89563, (3AS,4S,7R,7AS)-6-BENZYL-2,2-DIMETHYLTETRAHYDRO-4H-4,7-METHANO[1,3]DIOXOLO[4,5-D][1,2]OXAZINE, 155855-51-9

Application

This compound serves as a key chiral building block in the synthesis of biologically active molecules, particularly in medicinal chemistry for drug discovery. Its rigid oxazine scaffold is useful for developing enzyme inhibitors or receptor modulators due to its conformational constraints. Researchers also employ it in asymmetric catalysis and as a precursor for novel heterocyclic frameworks in agrochemical and material science applications.

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