4-(3-((4-Chlorophenyl)methyl)-6-chloroimidazo(4,5-b)pyridin-2-yl)-3,3-dimethylbutanoic acid
[CAS# 136122-46-8]

Identification

• Name: 4-(3-((4-Chlorophenyl)methyl)-6-chloroimidazo(4,5-b)pyridin-2-yl)-3,3-dimethylbutanoic acid
• Synonyms: 4-[6-Chloro-3-[(4-Chlorophenyl)Methyl]Imidazo[5,4-B]Pyridin-2-Yl]-3,3-Dimethyl-Butanoic Acid; 4-[6-Chloro-3-[(4-Chlorophenyl)Methyl]-2-Imidazo[5,4-B]Pyridinyl]-3,3-Dimethylbutanoic Acid; 4-[6-Chloro-3-(4-Chlorobenzyl)Imidazo[5,4-B]Pyridin-2-Yl]-3,3-Dimethyl-Butyric Acid
• Molecular Formula: C₁₉H₁₉Cl₂N₃O₂
• Molecular Weight: 392.28
• CAS Registry Number: 136122-46-8
• SMILES: C1=C2C(=NC=C1Cl)[N](C(=N2)CC(CC(O)=O)(C)C)CC3=CC=C(Cl)C=C3
• InChI: 1S/C19H19Cl2N3O2/c1-19(2,9-17(25)26)8-16-23-15-7-14(21)10-22-18(15)24(16)11-12-3-5-13(20)6-4-12/h3-7,10H,8-9,11H2,1-2H3,(H,25,26)
• InChIKey: NJDYXRUUHUXUDU-UHFFFAOYSA-N

Properties

• Density: 1.353g/cm³ (Cal.)
• Boiling point: 601.329°C at 760 mmHg (Cal.)
• Flash point: 317.472°C (Cal.)

References

• (1): N. Rodier, R. Céolin, V. Agafonov, S. Toscani, J. Dugué, E. Nicolaï et J.-M. Teulon. Acide 4-{6-chloro-3-(4-chlorobenzyl)imidazo[4,5-b]pyridin-2-yl}-3,3-diméthylbutanoïque, Acta Cryst. (1993). C49, 2034-2037