Description
Methyl 2-(4-chlorophenyl)-2-oxoacetate (CAS No. 37542-28-2) is a high-purity organic ester with the molecular formula C9H7ClO3. This compound is widely utilized in pharmaceutical and agrochemical research as a key intermediate for synthesizing active ingredients. Its IUPAC name, methyl 2-(4-chlorophenyl)-2-oxoacetate, reflects its structural composition, featuring a chlorophenyl ring conjugated with an oxoacetate moiety. Available in >98% purity (HPLC), this product is rigorously tested for consistency, ensuring optimal performance in synthetic applications. Suitable for use in Grignard reactions, esterifications, and as a precursor for heterocyclic compounds, it is packaged under inert conditions to maintain stability. Store in a cool, dry place away from light and moisture.
Properties
- CAS Number: 37542-28-2
- Complexity: 207
- IUPAC Name: methyl 2-(4-chlorophenyl)-2-oxo-acetate
- InChI: InChI=1S/C9H7ClO3/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5H,1H3
- InChI Key: XPBYSJXJFOJSBR-UHFFFAOYSA-N
- Exact Mass: 198.0083718
- Molecular Formula: C9H7ClO3
- Molecular Weight: 198.60
- SMILES: COC(=O)C(=O)C1=CC=C(C=C1)Cl
- Topological: 43.4
- Monoisotopic Mass: 198.0083718
- Synonyms: methyl 2-(4-chlorophenyl)-2-oxoacetate, 37542-28-2, Benzeneacetic acid, 4-chloro-a-oxo-, methyl ester, MFCD00157150, Methyl 4-chlorobenzoylformate, SCHEMBL2706993, XPBYSJXJFOJSBR-UHFFFAOYSA-N, MBA54228, methyl (4-chlorophenyl)-2-oxoacetate, methyl p-chlorophenyl-alpha-oxoacetate, AKOS006274160, AB11755, methyl2-(4-chlorophenyl)-2-oxoacetate, 4-chlorophenylglyoxylic acid methyl ester, BS-16690, DA-06336, SY156486, CS-0134474, EN300-140848
Application
Methyl 2-(4-chlorophenyl)-2-oxoacetate serves as a versatile building block in organic synthesis, particularly in the development of pharmaceuticals targeting CNS disorders and antimicrobial agents. Researchers employ it in the synthesis of α-keto ester derivatives for protease inhibition studies. Its reactivity with nucleophiles makes it valuable for constructing complex heterocycles in medicinal chemistry. Additionally, it is explored in agrochemical research for designing novel herbicides and fungicides.
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