Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C6H8O3 |
| Molecular Weight | 128.1259 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(=O)C1CCOC1=O
InChI
InChIKey=OMQHDIHZSDEIFH-UHFFFAOYSA-N
InChI=1S/C6H8O3/c1-4(7)5-2-3-9-6(5)8/h5H,2-3H2,1H3
a-Acetylbutyrolacone was used as an intermediate for the development of the non-nucleoside human immunodeficiency virus inhibitors and for the synthesis of antitumor agent which has thymidylate synthase (TS) and dihydrofolate reductase (DHFR) properties. Moreover, it has been characterized for use as a fluorogenic reagent for the spectrofluorimetric determination of primary amines.
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Synthesis and in vitro anti-HIV activity of certain 2-(1H-benzimidazol-2-ylamino)pyrimidin-4(3H)-ones and related derivatives. | 1997 Mar |
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| 3-Pyrazolone analogues of the 3-isoxazolol metabotropic excitatory amino acid receptor agonist homo-AMPA. Synthesis and pharmacological testing. | 1999 Nov 1 |
|
| Reactivity and molecular modeling of new solvatochromic mixed-ligand copper(II) chelates of 2-acetylbutyrolactone and dinitrogen bases. | 2015 Apr 5 |
Patents
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DTXSID6044436
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208-235-2
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2019
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I3D73T5K0Q
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517-23-7
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m1348
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SUBSTANCE RECORD
