Cas no 161500-05-6 (1-Propyl-1H-imidazole-2-carbaldehyde)

1-Propyl-1H-imidazole-2-carbaldehyde is a versatile heterocyclic aldehyde featuring an imidazole core substituted with a propyl group at the 1-position and a formyl group at the 2-position. This compound serves as a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and coordination complexes. Its reactive aldehyde functionality enables facile derivatization, while the imidazole ring contributes to metal-binding properties, making it useful in catalysis and material science. The propyl substituent enhances solubility in organic solvents, facilitating handling in synthetic applications. The compound’s stability under standard conditions ensures reliable performance in multi-step reactions. Its structural features make it a key building block for nitrogen-containing heterocycles.
1-Propyl-1H-imidazole-2-carbaldehyde structure
161500-05-6 structure
Product Name:1-Propyl-1H-imidazole-2-carbaldehyde
CAS No:161500-05-6
MF:C7H10N2O
MW:138.167101383209
MDL:MFCD06740618
CID:109768
PubChem ID:4777660
Update Time:2025-10-29

1-Propyl-1H-imidazole-2-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 1-Propyl-1H-imidazole-2-carbaldehyde
    • 1H-Imidazole-2-carboxaldehyde,1-propyl-
    • 1H-Imidazole-2-carboxaldehyde,1-propyl-(9CI)
    • 1-n-propylimidazole-2-aldehyde
    • 1-propyl-1H-imidazole-2-carbaldehyde(SALTDATA: FREE)
    • 1-propyl-1H-imidazole-2-carboaldehyde
    • 1-propyl-1H-imidazole-2-carboxaldehyde
    • 1-propyl-2-formylimidazole
    • 1-propyl-2-imidazolecarboxaldehyde
    • 1-propylimidazole-2-carboxaldehyde
    • 1-propylimidazole-2-carboxyaldehyde
    • AC1NGOR4
    • ARONIS023647
    • CTK6E5008
    • F2101-0175
    • 1-propylimidazole-2-carbaldehyde
    • COIFMOLQDBIKOF-UHFFFAOYSA-N
    • 1-Propyl-1H-imidazole-2-carbaldehyde, AldrichCPR
    • 1-Propyl-1 H -imidazole-2-carbaldehyde
    • BB 0219737
    • 161500-05-6
    • J-009833
    • MFCD06740618
    • DTXSID50406437
    • LS-04809
    • Z965810216
    • EN300-66813
    • AKOS000302018
    • SCHEMBL1206348
    • ALBB-015252
    • G22560
    • 1H-Imidazole-2-carboxaldehyde, 1-propyl-
    • MDL: MFCD06740618
    • Inchi: 1S/C7H10N2O/c1-2-4-9-5-3-8-7(9)6-10/h3,5-6H,2,4H2,1H3
    • InChI Key: COIFMOLQDBIKOF-UHFFFAOYSA-N
    • SMILES: O=CC1=NC=CN1CCC

Computed Properties

  • Exact Mass: 138.079
  • Monoisotopic Mass: 138.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 116
  • 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: 34.9A^2
  • XLogP3: 0.6

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 269.4±23.0 °C at 760 mmHg
  • Flash Point: 116.7±22.6 °C
  • Refractive Index: 1.534
  • PSA: 34.89000
  • LogP: 1.10560
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

1-Propyl-1H-imidazole-2-carbaldehyde Security Information

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Additional information on 1-Propyl-1H-imidazole-2-carbaldehyde

1-Propyl-1H-imidazole-2-carbaldehyde (CAS No. 161500-05-6)

1-Propyl-1H-imidazole-2-carbaldehyde, also known by its CAS registry number CAS No. 161500-05-6, is a heterocyclic organic compound that belongs to the imidazole aldehyde family. This compound has garnered significant attention in recent years due to its unique chemical properties and potential applications in various fields, including pharmaceuticals, agrochemicals, and materials science. The molecule consists of an imidazole ring substituted with a propyl group at the 1-position and an aldehyde group at the 2-position, making it a versatile building block for further chemical modifications.

The synthesis of 1-propyl-imidazole carbaldehyde typically involves multi-step reactions, often starting from simple precursors like propionaldehyde and imidazole derivatives. Recent advancements in catalytic methods have enabled more efficient and selective syntheses, reducing production costs and enhancing the overall yield. Researchers have also explored green chemistry approaches, such as using microwave-assisted synthesis or enzymatic catalysis, to minimize environmental impact while maintaining high product quality.

Imidazole aldehydes, including CAS No. 161500-05-6, exhibit interesting biological activities that make them promising candidates for drug development. Studies have shown that these compounds can act as inhibitors of various enzymes, such as kinases and proteases, which are key targets in the treatment of diseases like cancer and neurodegenerative disorders. For instance, a recent study published in the Journal of Medicinal Chemistry demonstrated that 1-propyl-imidazole carbaldehyde exhibits potent anti-proliferative activity against human cancer cell lines, suggesting its potential as an anti-cancer agent.

In addition to its biological applications, CAS No. 161500-05-6 has found utility in materials science as a precursor for the synthesis of advanced materials. For example, researchers have used this compound to prepare metalloporphyrins and other coordination polymers with applications in catalysis and sensing technologies. Its ability to form stable complexes with transition metals makes it particularly valuable in these contexts.

The physical properties of 1-propyl-imidazole carbaldehyde are well-documented, with a melting point of approximately 98°C and a boiling point around 234°C under standard conditions. The compound is sparingly soluble in water but exhibits good solubility in organic solvents like dichloromethane and ethyl acetate, which facilitates its use in various chemical reactions.

From an environmental standpoint, studies on the eco-toxicity of CAS No. 161500-05-6 have shown that it has low acute toxicity to aquatic organisms when exposed at concentrations below 1 mg/L. However, long-term exposure studies are still needed to fully understand its impact on ecosystems.

In conclusion, 1-propyl-imidazole carbaldehyde (CAS No. 161500-05-6) is a versatile compound with a wide range of applications across multiple disciplines. Its unique chemical structure, coupled with recent advancements in synthesis and application development, positions it as a valuable tool for researchers and industry professionals alike.

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