Ethyl 4-Chloroacetoacetate TCI C0911

Chemical Identity

Other names: 4-Chloroacetoacetic Acid Ethyl Ester · Ethyl (Chloroacetyl)acetate · (Chloroacetyl)acetic Acid Ethyl Ester · Ethyl 4-Chloro-3-oxobutyrate · 4-Chloro-3-oxobutyric Acid Ethyl Ester
CAS No.: 638-07-3
PubChem: CID 69484·SID 87565964
Formula: C6H9ClO3
Molecular weight: 164.59 g/mol
Purity: >95.0%(GC)
Reference databases: ChemSpider·ECHA

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: ethyl 4-chloro-3-oxobutanoate
SMILES: CCOC(=O)CC(=O)CCl
InChIKey: OHLRLMWUFVDREV-UHFFFAOYSA-N
MDL: MDL00000939

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TCI C0911 Ethyl 4-Chloroacetoacetate (CAS 638-07-3) is a classical β-ketoester building block carrying a reactive α-chloro substituent. It supports alkylation and condensation chemistry at the active methylene position while the chloroketone moiety enables construction of nitrogen- and sulfur-containing heterocycles. The compound is especially well known as a benchmark substrate in asymmetric and enzymatic reduction studies aimed at chiral alcohol intermediates. AMI Scientific supplies this TCI product in small and large pack sizes for both exploratory and higher-volume synthetic work.