CAS 1221725-88-7

5-Chloro-2-(1-methylethyl)-4-pyrimidinecarboxylic acid

Description:

5-Chloro-2-(1-methylethyl)-4-pyrimidinecarboxylic acid is a chemical compound characterized by its pyrimidine ring structure, which is a six-membered aromatic ring containing two nitrogen atoms at positions 1 and 3. The presence of a chloro substituent at the 5-position and an isopropyl group at the 2-position contributes to its unique properties. This compound is typically a solid at room temperature and is soluble in polar organic solvents. It may exhibit acidic behavior due to the carboxylic acid functional group, which can donate protons in solution. The compound's structure suggests potential applications in pharmaceuticals or agrochemicals, as pyrimidine derivatives are often explored for their biological activity. Additionally, the presence of chlorine can influence the compound's reactivity and stability, making it of interest in synthetic chemistry. Safety data should be consulted for handling and storage, as with any chemical substance.

Formula: C₈H₉ClN₂O₂

InChI: InChI=1S/C8H9ClN2O2/c1-4(2)7-10-3-5(9)6(11-7)8(12)13/h3-4H,1-2H3,(H,12,13)

InChI key: InChIKey=DRMCXNXIJDQDQF-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=NC(C(C)C)=NC=C1Cl

Synonyms:

• 5-Chloro-2-(1-methylethyl)-4-pyrimidinecarboxylic acid
• 4-Pyrimidinecarboxylic acid, 5-chloro-2-(1-methylethyl)-

5-Chloro-2-(propan-2-yl)pyrimidine-4-carboxylic acid

CAS: 1221725-88-7

Versatile small molecule scaffold

Formula: C₈H₉ClN₂O₂

Purity: Min. 95%

Molecular weight: 200.62 g/mol

Ref: 3D-WYB72588