Ethyl 4-(4-(2-Bromobenzyl)piperazin-1-yl)benzoate-[d8]

General Information
Catalog: BLP-006167
CAS: 1246817-87-7
Molecular Formula: C20H15D8BrN2O2
Molecular Weight: 411.36
Related CAS: 926934-01-2 (unlabelled)
Description Ethyl 4-(4-(2-Bromobenzyl)piperazin-1-yl)benzoate-[d8] is the labelled analogue of Ethyl 4-(4-(2-Bromobenzyl)piperazin-1-yl)benzoate, which is an intermediate in the production of ABT 737.
Synonyms Ethyl 4-(4-(2-Bromobenzyl)piperazin-1-yl)benzoate-d8; 4-[4-[(2-Bromophenyl)methyl]-1-piperazinyl]benzoic Acid Ethyl Ester-d8
IUPAC Name ethyl 4-[4-[(2-bromophenyl)methyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]benzoate
Canonical SMILES CCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3Br
InChI InChI=1S/C20H23BrN2O2/c1-2-25-20(24)16-7-9-18(10-8-16)23-13-11-22(12-14-23)15-17-5-3-4-6-19(17)21/h3-10H,2,11-15H2,1H3/i11D2,12D2,13D2,14D2
InChI Key QCFBDQSHLKFOGJ-FUEQIQQISA-N
Purity 98%
Solubility Soluble in Dichloromethane, DMSO, Ethyl Acetate, Methanol
Appearance White Solid
Storage Store at 2-8°C

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