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N-Benzyloxycarbonyl-4-(4-chlorophenyl-[d4])-4-piperidinol

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General Information
Catalog: BLP-007809
CAS: 1216929-70-2
Molecular Formula: C19H16D4ClNO3
Molecular Weight: 349.84

Chemical Structure

Description	N-Benzyloxycarbonyl-4-(4-chlorophenyl-[d4])-4-piperidinol is a labelled intermediate for the preparation of Haloperidol.
Synonyms	4-(4-Chlorophenyl-d4)-4-hydroxy-1-piperidinecarboxylic Acid Phenylmethyl Ester
IUPAC Name	benzyl 4-(4-chloro-2,3,5,6-tetradeuteriophenyl)-4-hydroxypiperidine-1-carboxylate
Related CAS	1076199-00-2 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1C2(CCN(CC2)C(=O)OCC3=CC=CC=C3)O)[2H])[2H])Cl)[2H]
Canonical SMILES	C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C(=O)OCC3=CC=CC=C3
InChI	InChI=1S/C19H20ClNO3/c20-17-8-6-16(7-9-17)19(23)10-12-21(13-11-19)18(22)24-14-15-4-2-1-3-5-15/h1-9,23H,10-14H2/i6D,7D,8D,9D
InChI Key	OACLBBGOZRXENL-YKVCKAMESA-N
Purity	>98%
Solubility	Soluble in Chloroform, Dichloromethane, Ethyl Acetate, Methanol
Appearance	White Solid