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Phenyl N-[4-[4-[4-(methoxymethoxy)phenyl]piperazin-1-yl]phenyl]carbamate-[d4]

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General Information
Catalog: BLP-006166
CAS: 1246817-73-1
Molecular Formula: C25H23D4N3O4
Molecular Weight: 437.52

Chemical Structure

Description	Phenyl N-[4-[4-[4-(methoxymethoxy)phenyl]piperazin-1-yl]phenyl]carbamate-[d4] is the labelled analogue of Phenyl N-[4-[4-[4-(methoxymethoxy)phenyl]piperazin-1-yl]phenyl]carbamate, which is an intermediate in the production of Posaconazole.
Synonyms	4-[4-(4-O-Methoxymethyl-4-hydroxyphenyl)-1-piperazinyl]phenyl]carbamic Acid-d4 Phenyl Ester
IUPAC Name	phenyl N-[2,3,5,6-tetradeuterio-4-[4-[4-(methoxymethoxy)phenyl]piperazin-1-yl]phenyl]carbamate
Related CAS	1329503-19-6 (unlabelled)
Canonical SMILES	COCOC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)OC4=CC=CC=C4
InChI	InChI=1S/C25H27N3O4/c1-30-19-31-23-13-11-22(12-14-23)28-17-15-27(16-18-28)21-9-7-20(8-10-21)26-25(29)32-24-5-3-2-4-6-24/h2-14H,15-19H2,1H3,(H,26,29)/i7D,8D,9D,10D
InChI Key	UFJQKFGDGIVFLZ-ULDPCNCHSA-N
Melting Point	>178°C (dec.)
Purity	≥95%
Solubility	Slightly soluble in DMSO (Heated)
Appearance	Light Yellow Solid
Storage	Store at 2-8°C