CAS 50606-35-4
:3-oxo-3-(3,4,5-trimethoxyphenyl)propanenitrile
Description:
3-Oxo-3-(3,4,5-trimethoxyphenyl)propanenitrile, with the CAS number 50606-35-4, is an organic compound characterized by its functional groups and structural features. It contains a nitrile group (-C≡N), which contributes to its reactivity and potential applications in organic synthesis. The presence of a ketone group (3-oxo) indicates that it has a carbonyl functionality, which can participate in various chemical reactions, such as nucleophilic additions. The compound also features a phenyl ring that is substituted with three methoxy groups (–OCH3), enhancing its solubility in organic solvents and potentially influencing its biological activity. The trimethoxy substitution pattern can affect the compound's electronic properties and steric hindrance, which may play a role in its interactions with biological targets. Overall, this compound may be of interest in medicinal chemistry and materials science due to its unique structural characteristics and potential reactivity.
Formula:C12H13NO4
InChI:InChI=1/C12H13NO4/c1-15-10-6-8(9(14)4-5-13)7-11(16-2)12(10)17-3/h6-7H,4H2,1-3H3
SMILES:COc1cc(cc(c1OC)OC)C(=O)CC#N
Synonyms:- Benzenepropanenitrile, 3,4,5-Trimethoxy-Β-Oxo-
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