Cas no 84255-21-0 (2-Ethyl-1H-imidazole-5-carboxylic acid)

2-Ethyl-1H-imidazole-5-carboxylic acid is a heterocyclic organic compound featuring an imidazole core substituted with an ethyl group at the 2-position and a carboxylic acid moiety at the 5-position. This structure imparts versatility in synthetic applications, particularly as a building block for pharmaceuticals, agrochemicals, and coordination chemistry. The carboxylic acid group enables further functionalization, while the imidazole ring offers potential for metal coordination and hydrogen bonding. Its well-defined reactivity profile makes it valuable for designing biologically active molecules or catalysts. The compound is typically handled under standard laboratory conditions, with stability dependent on proper storage to avoid degradation.
2-Ethyl-1H-imidazole-5-carboxylic acid structure
84255-21-0 structure
Product Name:2-Ethyl-1H-imidazole-5-carboxylic acid
CAS No:84255-21-0
MF:C6H8N2O2
MW:140.139921188354
MDL:MFCD00823433
CID:724069
PubChem ID:578816
Update Time:2025-10-28

2-Ethyl-1H-imidazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Ethyl-1H-imidazole-5-carboxylic acid
    • 1H-Imidazole-5-carboxylicacid, 2-ethyl-
    • 2-Aethyl-1(3)H-imidazol-4-carbonsaeure
    • 2-ethyl-1(3)H-imidazole-4-carboxylic acid
    • 2-Ethyl-1H-imidazole-4-carboxylic acid
    • 2-Ethyl-4(1H)-imidazolecarboxylic acid
    • 84255-21-0
    • 2-Ethyl-1H-imidazole-4-carboxylic acid #
    • 2-ethyl-1H-imidazole-5-carboxylicacid
    • 1H-Imidazole-5-carboxylicacid,2-ethyl-
    • 2-ETHYL-3H-IMIDAZOLE-4-CARBOXYLIC ACID
    • Z969202144
    • AKOS016846047
    • DTXSID50233184
    • DS-15830
    • EINECS 282-568-1
    • SCHEMBL151395
    • EN300-99208
    • NS00038470
    • AB23181
    • MFCD00823433
    • A923274
    • 1H-Imidazole-4-carboxylic acid, 2-ethyl-
    • FT-0600430
    • CS-0456095
    • NRIUQHNTFFNDMW-UHFFFAOYSA-N
    • AKOS009097657
    • DB-008196
    • MDL: MFCD00823433
    • Inchi: 1S/C6H8N2O2/c1-2-5-7-3-4(8-5)6(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10)
    • InChI Key: NRIUQHNTFFNDMW-UHFFFAOYSA-N
    • SMILES: OC(C1=CN=C(CC)N1)=O

Computed Properties

  • Exact Mass: 140.05900
  • Monoisotopic Mass: 140.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 138
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 66A^2
  • XLogP3: 0.8

Experimental Properties

  • Density: 1.318
  • Boiling Point: 447.29°C at 760 mmHg
  • Flash Point: 224.313°C
  • Refractive Index: 1.577
  • PSA: 65.98000
  • LogP: 0.67030
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

2-Ethyl-1H-imidazole-5-carboxylic acid Security Information

2-Ethyl-1H-imidazole-5-carboxylic acid Customs Data

  • HS CODE:2933290090
  • Customs Data:

    China Customs Code:

    2933290090

    Overview:

    2933290090. Other compounds with non fused imidazole ring in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 2-Ethyl-1H-imidazole-5-carboxylic acid

Comprehensive Guide to 2-Ethyl-1H-imidazole-5-carboxylic acid (CAS No. 84255-21-0): Properties, Applications, and Market Insights

2-Ethyl-1H-imidazole-5-carboxylic acid (CAS No. 84255-21-0) is a specialized organic compound belonging to the imidazole carboxylic acid family. This heterocyclic molecule features a five-membered ring structure containing two nitrogen atoms, with an ethyl substituent at the 2-position and a carboxylic acid functional group at the 5-position. The unique structural features of 2-ethyl-1H-imidazole-5-carboxylic acid make it valuable for various applications in pharmaceutical research, material science, and specialty chemical synthesis.

The growing interest in imidazole derivatives in medicinal chemistry has significantly increased the relevance of compounds like 2-ethyl-1H-imidazole-5-carboxylic acid. Researchers frequently search for information about its synthesis methods, solubility properties, and potential biological activities. The compound's molecular weight of 140.14 g/mol and its amphoteric nature (due to the presence of both acidic and basic functional groups) contribute to its versatility in chemical transformations.

In pharmaceutical applications, 2-ethyl-1H-imidazole-5-carboxylic acid serves as a crucial building block for drug discovery. The imidazole core is a privileged structure in medicinal chemistry, appearing in numerous FDA-approved drugs. Recent studies have explored its potential in developing enzyme inhibitors, particularly for targets involving histidine residues. The ethyl substitution at the 2-position often enhances the compound's metabolic stability compared to unsubstituted imidazole derivatives.

The material science field has shown increasing interest in imidazole-based compounds like 84255-21-0 for their potential in creating advanced polymers and coordination complexes. The carboxylic acid functionality allows for easy derivatization, making it valuable for designing metal-organic frameworks (MOFs) and functional coatings. Researchers investigating corrosion inhibitors or photocatalytic materials frequently consider this compound due to its electron-rich aromatic system.

From a synthetic chemistry perspective, 2-ethyl-1H-imidazole-5-carboxylic acid offers multiple reactive sites for chemical modification. The carboxylic acid group can undergo standard transformations such as esterification, amidation, or reduction, while the imidazole nitrogen atoms can participate in coordination chemistry or serve as hydrogen bond acceptors. These properties make it valuable for creating custom ligands in catalysis or molecular recognition systems.

The global market for specialty imidazole compounds like 84255-21-0 has shown steady growth, driven by demand from pharmaceutical and advanced material sectors. Current market analysis indicates particular interest from research institutions working on neurological therapeutics and antimicrobial agents. The compound's commercial availability has improved in recent years, with multiple suppliers now offering it in research quantities.

Analytical characterization of 2-ethyl-1H-imidazole-5-carboxylic acid typically involves techniques such as HPLC purity analysis, mass spectrometry, and NMR spectroscopy. The compound generally appears as a white to off-white crystalline powder with good stability under standard storage conditions. Researchers often inquire about its spectral data and chromatographic behavior when planning synthetic work or analytical methods.

Environmental and safety considerations for 2-ethyl-1H-imidazole-5-carboxylic acid follow standard laboratory chemical protocols. While not classified as highly hazardous, proper handling procedures should be maintained, including the use of personal protective equipment. The compound's ecotoxicological profile and biodegradability have become increasingly important topics as sustainability gains prominence in chemical research.

Recent patent literature reveals growing intellectual property activity surrounding derivatives of imidazole-5-carboxylic acids, particularly in pharmaceutical applications. Several patent families claim novel compounds synthesized from 2-ethyl-1H-imidazole-5-carboxylic acid as intermediates, highlighting its importance in drug discovery pipelines. This trend correlates with increasing searches for patented imidazole derivatives and medicinal chemistry building blocks.

The future outlook for 2-ethyl-1H-imidazole-5-carboxylic acid appears promising, with potential expansions into emerging areas like bioelectronic materials and supramolecular chemistry. Its dual functionality (acidic and basic sites) within a compact aromatic framework makes it particularly attractive for designing multifunctional materials. Research groups exploring molecular switches or stimuli-responsive systems have shown interest in similar imidazole-based structures.

For researchers sourcing CAS 84255-21-0, current market trends suggest evaluating multiple suppliers for optimal purity and pricing. The compound is typically available in research quantities ranging from milligrams to kilograms, with custom synthesis options for larger-scale requirements. Quality control parameters often focus on HPLC purity (typically ≥95% or ≥98%) and residual solvent content.

In conclusion, 2-ethyl-1H-imidazole-5-carboxylic acid represents an important member of the imidazole carboxylic acid family with diverse applications across chemical research and development. Its structural features and synthetic versatility continue to attract interest from multiple scientific disciplines, ensuring its ongoing relevance in both academic and industrial settings. As research into heterocyclic compounds advances, the potential applications for this specific derivative are likely to expand further.

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