2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid

Basic Information

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CAS Number

81334-34-1

Molecular Formula

C13H15N3O3

Molecular Weight

261.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

169-173 ºC

Boiling Point

404.53°C (rough estimate)

Density

1.1923 (rough estimate)

Flash Point

210.9 °C

Refractive Index

1.5600 (estimate)

SMILES

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CC(C)C1(C)N=C(NC1=O)C1=NC=CC=C1C(O)=O

InChI

InChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19)

InChIKey

CLQMBPJKHLGMQK-UHFFFAOYSA-N

LogP

1.0709

pKa

1.9, 3.6(at 25℃)

Topological Polar Surface Area

91.65 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

433

Safety Information

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GHS Hazard Pictograms

H319

H412

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H412 Harmful to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Stability

Stable. Incompatible with strong oxidizing agents.

Toxicity

LD50 orally in rats: >5000 mg/kg; dermally in rabbits: >2000 mg/kg (Paxman)

Synonyms & References

English

Imazapyr acid
2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1h-imidazol-2-yl)-3-pyridine
2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1h-imidazol-2-yl)-3-pyridinecarboxylicaci
2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-3-Pyridinecarboxylicacid
3-pyridinecarboxylicacid,2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1h-i
Nicotinicacid,2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)
2-(4-ISOPROPYL-4-METHYL-5-OXO-2-IMIDAZOLIN-2-YL)-NICOTINIC ACID
2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-NICOTINIC ACID
Imazapyr
2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid
IMAZAPYR ANALYTICAL STANDARD
Imazapyr(TM)
Imazapyr(TM) Solution
2-[(RS)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]nicotinic acid
Arsenal 250A
Charper
isopropylamine Salt
rac-2-[(4R)-4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid

MDL Number

MFCD00144470

Customs Code

2933990090

FAQ

What is 2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid (CAS: 81334-34-1)?

2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid (CAS: 81334-34-1) is a synthetic organic compound belonging to the class of nicotinic acid derivatives. It contains an imidazol ring substituted with isopropyl and methyl groups, and is known for its potential biological activities. This compound is typically used in research and pharmaceutical development due to its structural complexity and possible medicinal applications.

What are the main uses of 2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid (CAS: 81334-34-1)?

2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid (CAS: 81334-34-1) is primarily used in pharmaceutical research for the development of drugs targeting metabolic disorders and inflammation. It also finds application in organic synthesis as a building block for more complex molecules. Additionally, it is studied for its potential role in medicinal chemistry and bioactive compound design.

Is 2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid (CAS: 81334-34-1) safe?

2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid (CAS: 81334-34-1) is generally considered safe when handled properly in controlled laboratory environments. However, as with many chemical compounds, it requires appropriate safety measures such as wearing protective gloves, goggles, and lab coats. It should be kept away from open flames and stored in a well-ventilated area to minimize exposure risks.

How should 2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid (CAS: 81334-34-1) be stored?

2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid (CAS: 81334-34-1) should be stored in a cool, dry, and dark place, preferably at temperatures below 25°C. It should be kept in a sealed container to prevent moisture ingress and avoid exposure to air and light. Storage in a well-ventilated area is recommended to maintain stability and ensure safety.