(3aR,7R,7aR)-2,2-Diethyl-3a,6,7,7a-tetrahydro-7-[(methylsulfonyl)oxy]-1,3-benzodioxole-5-carboxylic Acid Ethyl Ester

CAS: 204254-90-0

Ref. TR-D445050

Informação sobre produto

• Nome: (3aR,7R,7aR)-2,2-Diethyl-3a,6,7,7a-tetrahydro-7-[(methylsulfonyl)oxy]-1,3-benzodioxole-5-carboxylic Acid Ethyl Ester
• Sinónimos: [3aR-(3aalpha,7alpha,7aalpha)]-2,2-Diethyl-3a,6,7,7a-Tetrahydro-7-[(Methylsulfonyl)oxy]-1,3-benzodioxole-5-carboxylic Acid Ethyl Ester
• Marca: TRC

Descrição

Applications (3aR,7R,7aR)-2,2-Diethyl-3a,6,7,7a-tetrahydro-7-[(methylsulfonyl)oxy]-1,3-benzodioxole-5-carboxylic Acid Ethyl Ester is an analog of (1R,5S,6S)-rel-5-(1-Ethylpropoxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic Acid Methyl Ester (E925665) which is an intermediate in the synthesis of neuraminidase inhibitors.
References Braese, S. et al.: Sci. Synth. 41, 543 (2010); Jarinrat K. et al.: Bioorg. Med. Chem. Lett., 20, 2152 (2012);

Propriedades químicas

• Peso molecular: 348.41
• Fórmula: C₁₅H₂₄O₇S
• Cor/forma: Neat
• InChI: InChI=1S/C15H24O7S/c1-5-15(6-2)20-11-8-10(14(16)19-7-3)9-12(13(11)21-15)22-23(4,17)18/h8,11-13H,5-7,9H2,1-4H3/t11-,12-,13-/m1/s1
• Chave InChI: InChIKey=ACWOABVIOKTVCQ-JHJVBQTASA-N
• SMILES: CCOC(=O)C1=C[C@H]2OC(CC)(CC)O[C@H]2[C@H](OS(C)(=O)=O)C1