2-Acetamido-2-(4-octylphenethyl)propane-1,3-diyl diacetate , 95% , 162358-09-0

CAS NO.：162358-09-0

Empirical Formula: C25H39NO5

Molecular Weight: 433.58

MDL number: MFCD09835537

EINECS: 1592732-453-0

PRODUCT Properties

• Melting point: 101 - 103°C
• Boiling point: 582.2±50.0 °C(Predicted)
• Density: 1.043
• storage temp.: 2-8°C
• solubility: Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
• pka: 14.68±0.46(Predicted)
• form: Solid
• color: Off-White to Pale Beige
• 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)
• InChIKey: GNDIBYIKXCMJGO-UHFFFAOYSA-N
• SMILES: C(NC(COC(C)=O)(COC(C)=O)CCC1=CC=C(CCCCCCCC)C=C1)(=O)C
• CAS DataBase Reference: 162358-09-0

Description and Uses

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.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319
• Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313