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CAS 27402-47-7

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Benzalbarbituricacid; 98%

Description:
Benzalbarbituric acid, with the CAS number 27402-47-7, is a derivative of barbituric acid characterized by the presence of a benzyl group at the 5-position of the barbituric acid structure. This compound typically appears as a white to off-white crystalline solid and is soluble in polar organic solvents. It exhibits properties typical of barbiturates, including the ability to form hydrogen bonds due to its carboxylic acid functional group, which contributes to its acidic nature. Benzalbarbituric acid is often utilized in organic synthesis and may serve as an intermediate in the production of various pharmaceuticals or agrochemicals. Its reactivity can be influenced by the presence of the benzyl group, which can participate in electrophilic aromatic substitution reactions. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper laboratory practices are followed. Overall, benzalbarbituric acid is a notable compound in the field of organic chemistry with potential applications in medicinal chemistry.
Formula:C11H8N2O3
InChI:InChI=1/C11H8N2O3/c14-9-8(10(15)13-11(16)12-9)6-7-4-2-1-3-5-7/h1-6H,(H2,12,13,14,15,16)
InChI key:CMWDWOZYVQQAMI-UHFFFAOYSA-N
SMILES:c1ccc(cc1)C=C1C(=NC(=O)N=C1O)O
Synonyms:
  • Benzalbarbituric acid
  • 5-benzylidenepyrimidine-2,4,6(1H,3H,5H)-trione
Found 4 products.