Cas no 114224-42-9 (1H-Benzimidazole,2-ethyl-7-methoxy-)

1H-Benzimidazole,2-ethyl-7-methoxy- is a substituted benzimidazole derivative characterized by the presence of an ethyl group at the 2-position and a methoxy group at the 7-position. This structural modification enhances its stability and potential reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The methoxy group contributes to improved solubility and electronic properties, while the ethyl substitution can influence steric and binding interactions. Its well-defined molecular structure allows for precise applications in heterocyclic chemistry, particularly in the development of bioactive compounds. The compound is typically supplied in high purity, ensuring consistency in research and industrial processes.
1H-Benzimidazole,2-ethyl-7-methoxy- structure
114224-42-9 structure
Product Name:1H-Benzimidazole,2-ethyl-7-methoxy-
CAS No:114224-42-9
MF:C10H12N2O
MW:176.215082168579
CID:106219
PubChem ID:76851739
Update Time:2025-05-20

1H-Benzimidazole,2-ethyl-7-methoxy- Chemical and Physical Properties

Names and Identifiers

    • 1H-Benzimidazole,2-ethyl-7-methoxy-
    • Benzimidazole, 2-ethyl-4(or 7)-methoxy- (6CI)
    • 1H-Benzimidazole, 2-ethyl-7-methoxy-
    • 114224-42-9
    • EN300-372940
    • 2-ETHYL-4-METHOXY-1H-1,3-BENZODIAZOLE
    • Inchi: 1S/C10H12N2O/c1-3-9-11-7-5-4-6-8(13-2)10(7)12-9/h4-6H,3H2,1-2H3,(H,11,12)
    • InChI Key: QEZLQRUVACXGLV-UHFFFAOYSA-N
    • SMILES: C1(CC)NC2=C(OC)C=CC=C2N=1

Computed Properties

  • Exact Mass: 176.09506
  • Monoisotopic Mass: 176.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 174
  • 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: 37.9A^2
  • XLogP3: 2.3

Experimental Properties

  • PSA: 37.91

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Additional information on 1H-Benzimidazole,2-ethyl-7-methoxy-

1H-Benzimidazole,2-ethyl-7-methoxy- (CAS No. 114224-42-9): A Comprehensive Overview

1H-Benzimidazole,2-ethyl-7-methoxy- (CAS No. 114224-42-9) is a specialized organic compound belonging to the benzimidazole family. This heterocyclic compound has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties and versatile applications. With a molecular formula of C10H12N2O, this compound features a benzimidazole core substituted with an ethyl group at the 2-position and a methoxy group at the 7-position, making it a valuable intermediate in synthetic chemistry.

The 2-ethyl-7-methoxy benzimidazole derivative is particularly notable for its role in the development of novel therapeutic agents. Researchers have explored its potential as a building block for drug discovery, especially in the design of kinase inhibitors and antimicrobial compounds. Recent studies highlight its relevance in addressing antibiotic resistance, a pressing global health concern. The compound's ability to modulate biological pathways makes it a candidate for targeted therapies in oncology and infectious diseases.

In the agrochemical sector, 1H-Benzimidazole,2-ethyl-7-methoxy- has shown promise as a precursor for crop protection agents. Its structural motifs align with the growing demand for sustainable pesticides that minimize environmental impact. As the agricultural industry shifts toward green chemistry solutions, this compound's derivatization potential positions it as a key player in next-generation formulations.

The synthesis of CAS 114224-42-9 typically involves multi-step organic reactions, including condensation and cyclization processes. Advanced techniques such as microwave-assisted synthesis have been employed to improve yield and reduce reaction times, aligning with the principles of process optimization in modern chemical manufacturing. Analytical characterization using HPLC and NMR spectroscopy ensures the compound's purity and structural integrity for research applications.

Market trends indicate rising interest in benzimidazole derivatives across pharmaceutical and specialty chemical sectors. The global push for precision medicine and personalized therapeutics has increased demand for structurally diverse heterocycles like 2-ethyl-7-methoxy-1H-benzimidazole. Industry reports project steady growth in this niche segment, driven by its applications in small molecule drug development and material science innovations.

From a regulatory perspective, 1H-Benzimidazole,2-ethyl-7-methoxy- complies with standard safety protocols for research chemicals. Proper handling procedures, including the use of personal protective equipment (PPE) and ventilated workspaces, are recommended during laboratory operations. The compound's stability profile and well-documented structure-activity relationships make it a reliable choice for academic and industrial research programs.

Emerging applications of CAS 114224-42-9 extend to organic electronics and functional materials. Its conjugated π-system and tunable electronic properties have attracted attention in the development of organic semiconductors and photovoltaic materials. This diversification of applications underscores the compound's versatility beyond traditional medicinal chemistry domains.

For researchers seeking high-purity 1H-Benzimidazole,2-ethyl-7-methoxy-, several specialty chemical suppliers offer the compound with comprehensive certificates of analysis. The availability of custom synthesis services and scale-up production options facilitates its integration into various research pipelines. As the scientific community continues to explore heterocyclic chemistry, this benzimidazole derivative remains a valuable tool for innovation across multiple disciplines.

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