5′-Deoxy-5-fluoro-N4-(isopentyloxycarbonyl)cytidine

• CAT Number: R009197
• CAS Number: 162204-30-0
• Molecular Formula: C15H22FN3O6
• Molecular Weight: 359.35
• Purity: ≥95%
• Synonyms: 3-methylbutyl N-[1-[(2R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
• InChI: InChI=1S/C15H22FN3O6/c1-7(2)4-5-24-15(23)18-12-9(16)6-19(14(22)17-12)13-11(21)10(20)8(3)25-13/h6-8,10-11,13,20-21H,4-5H2,1-3H3,(H,17,18,22,23)/t8-,10+,11?,13-/m1/s1
• InChIKey: PPVCPOIDSSQXMR-FSWKUEMBSA-N
• SMILES: CC1C(C(C(O1)N2C=C(C(=NC2=O)NC(=O)OCCC(C)C)F)O)O

5′-Deoxy-5-fluoro-N4-(isopentyloxycarbonyl)cytidine is an impurity in the synthesis of Capecitabine (HY-B0016)[1].

Reference

[1]. Lin Ziqi, et al. Process for preparation of Capecitabine isomer 5′-deoxy-5-fluoro-N4-(isobutoxycarbonyl)cytidine. China, CN103897006 A. 2014-07-02.