609-15-4
Chemical Structure
Ethyl 2-chloroacetoacetate
Synonym(s): A 21960
- CAS No.: 609-15-4
- Formula:C6H9ClO3
- Molecular Weight:164.59
IUPAC Name: ethyl 2-chloro-3-oxobutanoate
InChIKey: RDULEYWUGKOCMR-UHFFFAOYSA-N
SMILES: O=C(C(C(C)=O)Cl)OCC
Biological Activity: Ethyl 2-chloroacetoacetate (A 21960) is a chloroacetoacetate ester and also an alkylation building block for synthesis. Ethyl 2-chloroacetoacetate can serve as a starting material to undergo diazotization with aniline to generate a phenyltriazole-derived N-capping group, followed by cyclization with acetaldoxime. Ethyl 2-chloroacetoacetate can be used to synthesize steroidal thiazole and oxazole derivatives, which exhibit antimicrobial activity against Staphylococcus aureus, Listeria monocytogenes, Escherichia coli, Pseudomonas aeruginosa, Candida albicans, and Cryptococcus neoformans[1][2][3].
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Ethyl 2-chloroacetoacetate | 98.0% | Ethyl 2-chloroacetoacetate (A 21960) is a chloroacetoacetate ester and also an alkylation building block for synthesis. Ethyl 2-chloroacetoacetate can serve as a starting material to undergo diazotization with aniline to generate a phenyltriazole-derived N-capping group, followed by cyclization with acetaldoxime. Ethyl 2-chloroacetoacetate can be used to synthesize steroidal thiazole and oxazole derivatives, which exhibit antimicrobial activity against Staphylococcus aureus, Listeria monocytogenes, Escherichia coli, Pseudomonas aeruginosa, Candida albicans, and Cryptococcus neoformans. | ||||||||||||||||||||
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Similarity Score 0.80
HY-Y1093REthyl acetoacetate (Standard) -
Similarity Score 0.80
HY-Y1093SEthyl acetoacetate-13C2 -
Similarity Score 0.80
HY-Y1093S1Ethyl acetoacetate-13C4 -
Similarity Score 0.80
HY-Y1093S3Ethyl acetoacetate-13C -
Similarity Score 0.78
HY-W010293Ethyl 4-oxopentanoate -
Similarity Score 0.76
HY-469682-(Ethoxycarbonyl)-3-methylbutanoic acid -
Similarity Score 0.75
HY-78211Ethyl 3-oxopentanoate -
Similarity Score 0.75
HY-Y1031R3-Ethoxy-3-oxopropanoic acid (Standard) -
Similarity Score 0.74
HY-W1125030SEthyl acetoacetate-13C2-1 -
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References
- [1]. Liu S, et al. Optimization of non-ATP competitive CDK/cyclin groove inhibitors through REPLACE-mediated fragment assembly. Journal of medicinal chemistry. 2013 Feb 28;56(4):1573-82.
- [2]. Reid RC, et al. Potent heterocyclic ligands for human complement c3a receptor. Journal of medicinal chemistry. 2014 Oct 23;57(20):8459-70.
- [3]. Dar AM. Indian Journal of Advances in Chemical Science. Indian Journal of Advances in Chemical Science. 2022;10(4):189-205.