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1-(4-O-Methoxymethyl-4-hydroxyphenyl)-4-(4-nitrophenyl)piperazine-[d4]

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1-(4-O-Methoxymethyl-4-hydroxyphenyl)-4-(4-nitrophenyl)piperazine-[d4]

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General Information
Catalog: BLP-006176
CAS: 1246819-68-0
Molecular Formula: C18H17D4N3O4
Molecular Weight: 347.40

Chemical Structure

Description	1-(4-O-Methoxymethyl-4-hydroxyphenyl)-4-(4-nitrophenyl)piperazine-[d4] is the labelled analogue of 1-(4-O-Methoxymethyl-4-hydroxyphenyl)-4-(4-nitrophenyl)piperazine, which is an intermediate in the production of Posaconazole.
Synonyms	1-(4-O-Methoxymethyl-4-hydroxyphenyl)-4-(4-nitrophenyl)piperazine-d4
IUPAC Name	1-[4-(methoxymethoxy)phenyl]-4-(2,3,5,6-tetradeuterio-4-nitrophenyl)piperazine
Related CAS	1246819-65-7 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1N2CCN(CC2)C3=CC=C(C=C3)OCOC)[2H])[2H])[N+](=O)[O-])[2H]
Canonical SMILES	COCOC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI	InChI=1S/C18H21N3O4/c1-24-14-25-18-8-6-16(7-9-18)20-12-10-19(11-13-20)15-2-4-17(5-3-15)21(22)23/h2-9H,10-14H2,1H3/i2D,3D,4D,5D
InChI Key	YAIAQYBECSXYAR-QFFDRWTDSA-N
Purity	≥98%
Solubility	Soluble in Chloroform, Dichloromethane
Appearance	Brown Solid