(1R,5S,6R)-Ethyl 5-(Pentan-3-yloxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate

CAS: 125971-95-1

Ref. TR-E917990

Product Information

• Name: (1R,5S,6R)-Ethyl 5-(Pentan-3-yloxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
• Synonyms: 1,1-Dimethylethyl (4R-cis)-6-[2-[2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1-H-pyrrol-1-yl]ethyl]-2,2-di-methyl-1,3-dioxane-4-acetate
• Brand: TRC

Description

Applications (1R,5S,6R)-Ethyl 5-(Pentan-3-yloxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate is the enantiomer of Ethyl (3R,4S,5S)-4,5-Epoxy-3-(1-ethylpropoxy)cyclohex-1-ene-1-carboxylate (E917820), an intermediate of Oseltamivir.
References Clark, C., et al.: J. Med. Chem., 31, 831 (1988)

Chemical properties

• Molecular weight: 654.81
• Formula: C₄₀H₄₇FN₂O₅
• Color/Form: Neat
• InChI: InChI=1S/C40H47FN2O5/c1-26(2)36-35(38(45)42-30-16-12-9-13-17-30)34(27-14-10-8-11-15-27)37(28-18-20-29(41)21-19-28)43(36)23-22-31-24-32(47-40(6,7)46-31)25-33(44)48-39(3,4)5/h8-21,26,31-32H,22-25H2,1-7H3,(H,42,45)/t31-,32-/m1/s1
• InChI key: InChIKey=XZXCGRFGEVXWIT-XQQFMLRXSA-N
• SMILES: CCOC(=O)C1=C[C@H](OC(CC)CC)[C@@H]2O[C@@H]2C1