1,5-Dimethyl-1H-imidazole-4-carboxylic acid

Basic Information

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CAS Number

80304-42-3

Molecular Formula

C6H8N2O2

Molecular Weight

140.14 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

Basic Physical Properties

SMILES

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O=C(C1=C(C)N(C)C=N1)O

InChI

InChI=1S/C6H8N2O2/c1-4-5(6(9)10)7-3-8(4)2/h3H,1-2H3,(H,9,10)

InChIKey

MJWMSFLDPWTOSC-UHFFFAOYSA-N

LogP

0.42671999999999993

Topological Polar Surface Area

55.120000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

149

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

1,5-Dimethyl-1H-imidazole-4-carboxylic acid
1,5-dimethylimidazole-4-carboxylic acid
1H-Imidazole-4-carboxylic acid, 1,5-dimethyl-
MJWMSFLDPWTOSC-UHFFFAOYSA-N
FCH966539
2517AC
AX8211340
ST24036876
1,5-dimethyl-1H-imidazole-4-carboxylic acid

MDL Number

MFCD18910969

FAQ

What are the physical and chemical properties of 1,5-Dimethyl-1H-imidazole-4-carboxylic acid (CAS: 80304-42-3)?

1,5-Dimethyl-1H-imidazole-4-carboxylic acid is a crystalline solid with a molecular weight of approximately 154.18 g/mol. It has a solubility of about 1.4 g/100 mL in water at 20°C. The compound is known for its moderate reactivity, particularly in its ability to form complexes with various metal ions. It exhibits good basicity due to the imidazole ring, and its carboxylic acid functionality allows for esterification and other acid-base reactions.

How is 1,5-Dimethyl-1H-imidazole-4-carboxylic acid (CAS: 80304-42-3) typically synthesized?

1,5-Dimethyl-1H-imidazole-4-carboxylic acid can be synthesized through the condensation of 1,5-dimethylimidazole with acetic anhydride. This reaction is typically catalyzed by a strong acid like sulfuric acid. The process yields a pure product with high selectivity and good yield. The reaction conditions are optimized for maximum efficiency and minimal side products, ensuring a high-quality final product.

What industries use 1,5-Dimethyl-1H-imidazole-4-carboxylic acid (CAS: 80304-42-3)?

1,5-Dimethyl-1H-imidazole-4-carboxylic acid finds applications in various industries. It is used in the pharmaceutical industry as a precursor for the synthesis of drugs. In the polymer industry, it serves as a stabilizer and antioxidant. Additionally, it is utilized in sensor technology for its ability to detect certain gases and in semiconductor manufacturing for etching processes.

What precautions should be taken when handling 1,5-Dimethyl-1H-imidazole-4-carboxylic acid (CAS: 80304-42-3)?

When handling 1,5-Dimethyl-1H-imidazole-4-carboxylic acid, it is essential to wear appropriate personal protective equipment (PPE) including safety goggles, gloves, and a lab coat. Operations should be conducted in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials, and proper disposal methods should be followed. Always consult the Material Safety Data Sheet (MSDS) for specific safety guidelines and emergency procedures.