6-Isobutyl-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid | CAS No. 876715-59-2

6-Isobutyl-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid

Basic Information

CAS Number

876715-59-2

Molecular Formula

C9H12N2O3

Molecular Weight

196.21 g/mol

AD

Basic Physical Properties

CC(C)CC1=CC(=NC(=O)N1)C(=O)O

InChI

InChI=1S/C9H12N2O3/c1-5(2)3-6-4-7(8(12)13)11-9(14)10-6/h4-5H,3H2,1-2H3,(H,12,13)(H,10,11,14)

InChIKey

WDIFSCKLWBVBLR-UHFFFAOYSA-N

LogP

1.0789

Topological Polar Surface Area

83.31 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

329

Synonyms & References

English

  • 2-hydroxy-6-(2-methylpropyl)pyrimidine-4-carboxylic acid
  • 2-HYDROXY-6-ISOBUTYLPYRIMIDINE-4-CARBOXYLIC ACID
  • 876715-59-2
  • SB55715
  • HMS1678A10
  • 6-isobutyl-2-oxo-1,2-dihydropyrimidine-4-carboxylic acid
  • AKOS005665465
  • VS-10165
  • 4-Pyrimidinecarboxylicacid, 2,3-dihydro-6-(2-methylpropyl)-2-oxo-
  • SCHEMBL24754504
  • 6-Isobutyl-2-oxo-1,2-dihydropyrimidine-4-carboxylic acid, AldrichCPR
  • S6Y
  • 2-Hydroxy-6-isobutylpyrimidine-4-carboxylicacid
  • F2145-0404
  • 6-(2-methylpropyl)-2-oxidanylidene-5~{H}-pyrimidine-4-carboxylic acid
  • AKOS006348443
  • FT-0712427
  • SCHEMBL23900502
  • 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylic acid
  • DTXSID10424374
  • EN300-235683
  • CCG-300007
  • 2-Hydroxy-6-isobutylpyrimidine-4-carboxylic acid
  • 2-HYDROXY-6-ISOBUTYL-PYRIMIDINE-4-CARBOXYLIC ACID
  • BB_NC-2535

MDL Number

MFCD08436539

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 6-Isobutyl-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid (CAS: 876715-59-2)?

6-Isobutyl-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid is a crystalline solid with a molecular weight of approximately 241.22 g/mol. It has a low solubility in water but is more soluble in solvents like DMSO and acetonitrile. It is moderately reactive towards nucleophiles and can undergo esterification and amidation reactions. The compound is stable under normal conditions but should be stored in a dry, cool place away from direct sunlight to prevent degradation.

How is 6-Isobutyl-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid (CAS: 876715-59-2) typically synthesized?

6-Isobutyl-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid can be synthesized via the condensation of isobutyraldehyde and 2-chloro-4-pyrimidinone, followed by amidation. The reaction is typically carried out in the presence of a base such as potassium carbonate, yielding a product with high selectivity and good yield. The method involves careful temperature control to optimize reaction efficiency.

What industries use 6-Isobutyl-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid (CAS: 876715-59-2)?

6-Isobutyl-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid finds applications in the pharmaceutical industry, particularly in the development of anti-inflammatory and antiviral drugs. It is also used in the production of certain polymers and sensors due to its unique structural properties. The compound's ability to form stable complexes with metal ions makes it valuable in semiconductor applications.

What precautions should be taken when handling 6-Isobutyl-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid (CAS: 876715-59-2)?

When handling 6-Isobutyl-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be used in a well-ventilated area or a fume hood to minimize inhalation risk. In case of a spill, it should be immediately contained and cleaned up using suitable absorbent materials. Handling of this compound should always be done in accordance with the Material Safety Data Sheet (MSDS) and relevant safety guidelines.

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