4-APEBA

• CAT Number: I047575
• CAS Number: 1226984-28-6
• Molecular Formula: C18H25Br3N2O
• Molecular Weight: 525.12
• Purity: ≥95%
• IUPAC Name: 2-(4-azaniumylphenoxy)ethyl-[2-(4-bromophenyl)ethyl]-dimethylazanium;dibromide
• InChI: InChI=1S/C18H24BrN2O.2BrH/c1-21(2,12-11-15-3-5-16(19)6-4-15)13-14-22-18-9-7-17(20)8-10-18;;/h3-10H,11-14,20H2,1-2H3;2*1H/q+1;;/p-1
• SMILES: C[N+](C)(CCC1=CC=C(C=C1)Br)CCOC2=CC=C(C=C2)[NH3+].[Br-].[Br-]

Excellent derivatisation reagent for aldehydes and carboxylic acids. Very mild derivatisation conditions. Selectivity for aldehydes or carboxylic acids is obtained by changing co-reagent. In addition to the retained features of the 1st generation reagent 4-APC, 4-APEBA and its adducts contain additional unique properties (Br-isotope identifier, specific bromophenethyl fragmentation, increased lipophilicity).*Sold in collaboration with VU (VU University Amsterdam).

Reference

Kretschmer A, Giera M, Wijtmans M, de Vries L, Lingeman H, Irth H, Niessen WM. Derivatization of carboxylic acids with 4-APEBA for detection by positive-ion LC-ESI-MS(/MS) applied for the analysis (…). J Chromatogr B 2011, 879(17-18), 1393-1401. 

 

Eggink M, Wijtmans M, Kretschmer A, Kool J, Lingeman H, de Esch IJ, Niessen WM, Irth H. Targeted LC-MS derivatization for aldehydes and carboxylic acids with a new derivatization agent 4-APEBA. Anal Bioanal Chem. 2010, 397(2), 665-675.