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Diethyl Malonate-[2-13C]

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General Information
Catalog: BLP-009232
CAS: 67035-94-3
Molecular Formula: C6[13C]H12O4
Molecular Weight: 161.16

Chemical Structure

Description	Diethyl Malonate-[2-13C] is a labelled compound of Diethyl Malonate. Acylation of diethyl malonate using magnesium chloride and triethylamine is reported.
Synonyms	Diethyl Ester Propanedioic-2-13C Acid; Propanedioic Acid 1,3-Diethyl Ester-13C; Malonic Acid Diethyl Ester-13C; Propanedioic Acid Diethyl Ester-13C; Carbethoxyacetic Ester; Dicarbethoxymethane-13C; Diethyl Propane-1,3-dioate-13C
IUPAC Name	diethyl (2-13C)propanedioate
Related CAS	105-53-3 (unlabelled)
Isomeric SMILES	CCOC(=O)[13CH2]C(=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/i5+1
InChI Key	IYXGSMUGOJNHAZ-HOSYLAQJSA-N
Boiling Point	199°C (lit.)
Melting Point	−51-−50°C (lit.)
Purity	99% by CP; 99% atom 13C
Density	1.054 g/cm3
Solubility	Soluble in Chloroform, Ethyl Acetate (Slightly)
Appearance	Colorless Oil