N-[1,1-Bis[(acetyloxy)methyl]-3-(4-octylphenyl)propyl]acetamide

CAS: 162358-09-0

Ref. TR-B400600

Product Information

• Name: N-[1,1-Bis[(acetyloxy)methyl]-3-(4-octylphenyl)propyl]acetamide
• Synonyms: Acetamide, N-[1,1-bis[(acetyloxy)methyl]-3-(4-octylphenyl)propyl]-, 2-Acetamido-2-acetoxymethyl-4-(4-octylphenyl)butyl acetate, Acetic acid 2-acetoxymethyl-2-acetylamino-4-(4-octylphenyl)butyl ester, Triacetylfingolimod, (N,O,O-Triacetyl)fingolimod
• Brand: TRC
• Description: Applications N-[1,1-Bis[(acetyloxy)methyl]-3-(4-octylphenyl)propyl]acetamide is derived from Diethyl 2-Acetamidomalonate (D443130), which is a versatile building block used for the synthesis of various pharmaceutical and biologically active compounds. It is an intermediate for the preparation of Novobiocin (N888500) analogues as potential heat shock protein 90 inhibitors.References Gunaherath, G. M., et al.: Bioorg. Med. Chem., 21, 5118 (2013)

Chemical properties

• Molecular weight: 433.58
• Formula: C₂₅H₃₉NO₅
• Color/Form: Neat
• InChI: InChI=1S/C25H39NO5/c1-5-6-7-8-9-10-11-23-12-14-24(15-13-23)16-17-25(26-20(2)27,18-30-21(3)28)19-31-22(4)29/h12-15H,5-11,16-19H2,1-4H3,(H,26,27)
• InChI key: InChIKey=GNDIBYIKXCMJGO-UHFFFAOYSA-N
• SMILES: CCCCCCCCc1ccc(CCC(COC(C)=O)(COC(C)=O)NC(C)=O)cc1