CAS 634-55-9
:Butanoic acid, 2-cyano-3-oxo-, ethyl ester
Description:
Butanoic acid, 2-cyano-3-oxo-, ethyl ester, also known as ethyl 2-cyano-3-oxobutanoate, is an organic compound characterized by its ester functional group and the presence of both a cyano and a keto group. This compound typically appears as a colorless to pale yellow liquid with a fruity odor. It is soluble in organic solvents and exhibits moderate solubility in water due to the presence of polar functional groups. The compound is known for its reactivity, particularly in condensation reactions and as an intermediate in organic synthesis, especially in the preparation of various pharmaceuticals and agrochemicals. Its molecular structure includes a butanoic acid backbone, which contributes to its acidity and potential for forming hydrogen bonds. Safety data indicates that it should be handled with care, as it may be harmful if ingested or inhaled, and appropriate safety measures should be taken during its use in laboratory or industrial settings.
Formula:C7H9NO3
InChI:InChI=1S/C7H9NO3/c1-3-11-7(10)6(4-8)5(2)9/h6H,3H2,1-2H3
InChI key:InChIKey=NWOKVFOTWMZMHL-UHFFFAOYSA-N
SMILES:C(C(OCC)=O)(C(C)=O)C#N
Synonyms:- Acetoacetic acid, 2-cyano-, ethyl ester
- Butanoic acid, 2-cyano-3-oxo-, ethyl ester
- Ethyl 2-Acetylcyanoacetate, Pract.
- Ethyl 2-Cyano-3-Oxobutanoate
- Ethyl 2-Cyanoacetoacetate, Pract.
- Ethyl α-cyanoacetoacetate
- ethyl (2R)-2-cyano-3-oxobutanoate
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Found 3 products.
Ethyl 2-cyanoacetoacetate
CAS:<p>It is used as a pharmaceutical intermediate. It is also used in the synthesis of fluorine-containing alkyl 2-cyano-3-oxocarboxylates and also in the syntheses of pyrazolo [1, 2-a] pyrazole and pyrazolo [5, 1-b] [1, 3] oxazine derivatives. This Thermo Scientific Chemicals brand product was originally</p>Formula:C2H5OOCCH(CN)COCH3Molecular weight:155.16Ethyl 2-cyanoacetoacetate
CAS:Formula:C7H9NO3Purity:95%Color and Shape:SolidMolecular weight:155.1513
