Acetamidomalonic acid diethyl ester
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Acetamidomalonic acid diethyl ester

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Acetamidomalonic acid diethyl ester (CAS# 1068-90-2) is a versatile building block used for the synthesis of various pharmaceutical and biologically active compounds. It is an intermediate for the preparation of Novobiocin (N888500) analogues as potential heat shock protein 90 inhibitors.

Category
Others
Catalog number
BAT-002393
CAS number
1068-90-2
Molecular Formula
C9H15NO5
Molecular Weight
217.20
Acetamidomalonic acid diethyl ester
IUPAC Name
diethyl 2-acetamidopropanedioate
Synonyms
Diethyl acetamidomalonate
Appearance
White crystal
Purity
≥ 99 % (Assay)
Density
1.141 g/cm3
Melting Point
92-99 °C
Boiling Point
185 °C at 20 mmHg
Storage
Store at RT
Solubility
Slightly sol in hot water & ether; sol in hot alcohol
InChI
InChI=1S/C9H15NO5/c1-4-14-8(12)7(10-6(3)11)9(13)15-5-2/h7H,4-5H2,1-3H3,(H,10,11)
InChI Key
ISOLMABRZPQKOV-UHFFFAOYSA-N
Canonical SMILES
CCOC(=O)C(C(=O)OCC)NC(=O)C
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