Cas no 52070-18-5 (ethyl 2-methylpropanecarboximidate hydrochloride)

Ethyl 2-methylpropanecarboximidate hydrochloride is a versatile imidate ester derivative widely used in organic synthesis and pharmaceutical research. Its key advantages include high reactivity as an intermediate in the formation of amidines and other nitrogen-containing compounds. The hydrochloride salt form enhances stability and handling, making it suitable for controlled reactions. The compound’s structural features, including the ethyl ester and branched alkyl group, contribute to its utility in modifying molecular frameworks with precision. It is particularly valuable in peptide coupling and heterocycle synthesis, where efficient imidate activation is required. The product is typically handled under inert conditions to preserve its reactivity and purity.
ethyl 2-methylpropanecarboximidate hydrochloride structure
52070-18-5 structure
Product Name:ethyl 2-methylpropanecarboximidate hydrochloride
CAS No:52070-18-5
MF:C6H14ClNO
MW:151.634460926056
MDL:MFCD00034992
CID:1575496
PubChem ID:12816252
Update Time:2025-06-14

ethyl 2-methylpropanecarboximidate hydrochloride Chemical and Physical Properties

Names and Identifiers

    • Propanimidic acid, 2-methyl-, ethyl ester, hydrochloride
    • ethyl 2-methylpropanimidate,hydrochloride
    • ethyl isobutyrimidate hydrochloride
    • ethyl 2-methylpropanecarboximidate hydrochloride
    • Ethyl 2-methylpropanimidate--hydrogen chloride (1/1)
    • ethyl 2-methylpropanimidate;hydrochloride
    • CS-W004190
    • CCA07018
    • ethyl 2-methylpropanimidate hydrochloride
    • SCHEMBL4428151
    • DA-33642
    • MFCD00034992
    • LWNZWFFRNHYXPX-UHFFFAOYSA-N
    • Z1623864182
    • EN300-128129
    • W12825
    • AKOS027322241
    • 52070-18-5
    • 1-imino-1-ethoxyisobutane hydrochloride
    • ETHYL ISOBUTYRIMIDATE HCL
    • ethylisobutyrimidatehydrochloride
    • DTXSID40510613
    • BS-41665
    • MDL: MFCD00034992
    • Inchi: 1S/C6H13NO.ClH/c1-4-8-6(7)5(2)3;/h5,7H,4H2,1-3H3;1H
    • InChI Key: LWNZWFFRNHYXPX-UHFFFAOYSA-N
    • SMILES: Cl.O(CC)C(C(C)C)=N

Computed Properties

  • Exact Mass: 151.07652
  • Monoisotopic Mass: 151.0763918g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 78.6
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 33.1?2

Experimental Properties

  • PSA: 33.08

ethyl 2-methylpropanecarboximidate hydrochloride Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI XIANG HUI YI YAO Technology Co., Ltd.
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Additional information on ethyl 2-methylpropanecarboximidate hydrochloride

Comprehensive Overview of Ethyl 2-Methylpropanecarboximidate Hydrochloride (CAS No. 52070-18-5)

Ethyl 2-methylpropanecarboximidate hydrochloride (CAS No. 52070-18-5) is a specialized organic compound widely utilized in pharmaceutical synthesis, agrochemical research, and fine chemical production. This compound, often referred to as a carboximidate derivative, plays a pivotal role in the formation of heterocyclic structures and serves as a key intermediate in the synthesis of bioactive molecules. Its molecular formula, C6H14ClNO, highlights its unique chemical properties, including reactivity as an imidate ester and stability in hydrochloride salt form.

In recent years, the demand for ethyl 2-methylpropanecarboximidate HCl has surged due to its applications in peptide coupling and prodrug design, aligning with the growing interest in targeted drug delivery systems. Researchers frequently search for "CAS 52070-18-5 solubility" or "ethyl 2-methylpropanecarboximidate hydrochloride synthesis," reflecting its technical relevance. The compound’s compatibility with Green Chemistry principles also makes it a subject of interest, as industries seek sustainable alternatives to traditional reagents.

The compound’s nomenclature includes several long-tail keywords such as "ethyl isobutyrimidate hydrochloride" (a common synonym) and "2-methylpropanecarboximidate derivatives," which are critical for academic literature searches. Analytical techniques like HPLC and NMR spectroscopy are typically employed to verify its purity, a topic frequently queried in scientific forums. Notably, its stability under anhydrous conditions and reactivity with nucleophiles are key discussion points in synthetic chemistry circles.

From an industrial perspective, 52070-18-5 is often explored for scalability in batch processing, with patents highlighting its use in chiral auxiliary preparation. Environmental considerations, such as "biodegradability of imidate salts," are emerging as hot topics, linking this compound to broader discussions on eco-friendly chemical manufacturing. Regulatory compliance, particularly regarding REACH and GMP standards, further underscores its safe handling protocols.

Innovative applications of ethyl 2-methylpropanecarboximidate hydrochloride extend to material science, where it aids in polymer modification. Its role in cross-coupling reactions (e.g., with boronic acids) has been cited in recent publications, addressing the demand for "C–N bond formation strategies." As synthetic methodologies evolve, this compound remains a versatile tool for high-yield transformations, cementing its status in modern organic chemistry.

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