185698

Barbituric acid

ReagentPlus^®, 99%

• 동의어(들): 2,4,6-Trihydroxypyrimidine, Malonylurea
• 실험식(Hill 표기법): C₄H₄N₂O₃
• CAS Number: 67-52-7
• Molecular Weight: 128.09
• Beilstein: 120502
• EC Number: 200-658-0
• MDL number: MFCD00006666
• UNSPSC 코드: 12352100
• PubChem Substance ID: 24851157
• NACRES: NA.21

속성

• Quality Level: 200
• 제품 라인: ReagentPlus^®
• 분석: 99%
• 양식: powder
• mp: 248-252 °C ((lit.)); 248-252 °C (dec.) (lit.)
• SMILES string: [O=C1CC(=O)NC(=O)N1]; O=C1CC(=O)NC(=O)N1
• InChI: [1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)]; 1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
• InChI key: [HNYOPLTXPVRDBG-UHFFFAOYSA-N]; HNYOPLTXPVRDBG-UHFFFAOYSA-N

설명

일반 설명

Barbituric acid is a useful acid for organic and drug syntheses. Its dihydrate form can be synthesized from barbituric acid via crystallization from aqueous solution. Crystal structure of barbituric acid (in tautomeric form) has been investigated by a three dimensional fourier transform method. Its enol crystal form has been reported to be thermodynamically stable.

애플리케이션

Barbituric acid (BA) may be used in the preparation of the corresponding hemiaminals, via chemoselective reduction in the presence of SmI₂/H₂O reagent. It may be used in the preparation of BA- modified conjugated carbon nitride nanosheets.

It may be used to synthesize:

• 5-ylidenebarbituric acid derivatives via Knoevenagel condensation with aromatic and α,β-conjugated aromatic aldehydes
• 5-diaminomethylenebarbiturates by reacting with substituted carbodiimides

법적 정보

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

안전성 정보

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 1
• Flash Point (°F): 302.0 °F - closed cup
• Flash Point (°C): 150.00 °C - closed cup
• 개인 보호 장비: Eyeshields, Gloves, type N95 (US)