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Diethyl Malonate-[1,3-13C2]

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General Information
Catalog: BLP-009231
CAS: 77386-82-4
Molecular Formula: C5[13C]2H12O4
Molecular Weight: 162.15

Chemical Structure

Description	Diethyl Malonate-[1,3-13C2] is a labelled compound of Diethyl Malonate. Acylation of diethyl malonate using magnesium chloride and triethylamine is reported.
Synonyms	Propanedioic-1,3-13C2 Acid Diethyl Ester
IUPAC Name	diethyl (1,3-13C2)propanedioate
Related CAS	105-53-3 (unlabelled)
Isomeric SMILES	CCO[13C](=O)C[13C](=O)OCC
Canonical SMILES	CCOC(=O)CC(=O)OCC
InChI	InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3/i6+1,7+1
InChI Key	IYXGSMUGOJNHAZ-AKZCFXPHSA-N
Boiling Point	199°C (lit.)
Melting Point	−51-−50°C (lit.)
Purity	99% by CP; 99% atom 13C
Density	1.067 g/cm3
Appearance	Yellow Oil