4-(2-Hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylic acid | CAS No. 144690-04-0

4-(2-Hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylic acid

Basic Information

CAS Number

144690-04-0

Molecular Formula

C10H16N2O3

Molecular Weight

212.25 g/mol

AD

Basic Physical Properties

CCCc1nc(c([nH]1)C(=O)O)C(O)(C)C

InChI

InChI=1S/C10H16N2O3/c1-4-5-6-11-7(9(13)14)8(12-6)10(2,3)15/h15H,4-5H2,1-3H3,(H,11,12)(H,13,14)

InChIKey

FREDNUVVPQMYKQ-UHFFFAOYSA-N

LogP

1.2878

Topological Polar Surface Area

86.21000000000001 Ų

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

243

Synonyms & References

English

  • 4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylic acid
  • 4-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylic acid
  • 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylic acid
  • 4-(1-hydroxy-1-methylethyl)-2-propyl-imidazole-5-carboxylic acid

MDL Number

MFCD24483971

FAQ

What are the physical and chemical properties of 4-(2-Hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylic acid (CAS: 144690-04-0)?

4-(2-Hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylic acid is a white to off-white crystalline solid with a molecular weight of approximately 300.4 g/mol. It is slightly soluble in water and ethanol. The compound exhibits acidic properties due to the carboxylic acid group, making it reactive towards bases and nucleophiles.

How is 4-(2-Hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylic acid (CAS: 144690-04-0) typically synthesized?

4-(2-Hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylic acid can be synthesized via a multi-step process involving condensation of 2-propylimidazole-5-carboxylic acid with 2-hydroxypropan-2-yl bromide. The reaction is typically performed under reflux conditions in an inert solvent like toluene, with the use of a catalyst such as sodium hydride to improve the yield.

What industries use 4-(2-Hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylic acid (CAS: 144690-04-0)?

4-(2-Hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylic acid finds applications in the pharmaceutical industry as a potential drug candidate due to its structural characteristics. It is also utilized in the development of sensors and as a functional group in polymer chemistry for its reactivity and solubility properties.

What precautions should be taken when handling 4-(2-Hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylic acid (CAS: 144690-04-0)?

When handling 4-(2-Hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylic acid, it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Handle in a fume hood to avoid inhalation and ensure proper ventilation. Store the compound in a dry, cool place away from direct sunlight. In case of skin contact, wash with soap and water. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.

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