Cas no 54213-21-7 (methyl 2-isocyanato-2-methylpropanoate)

Methyl 2-isocyanato-2-methylpropanoate is a versatile isocyanate ester used primarily as a reactive intermediate in organic synthesis and polymer chemistry. Its key advantages include a highly reactive isocyanate group, enabling efficient incorporation into urethane, urea, and other heterocyclic compounds. The sterically hindered α-carbon adjacent to the ester group enhances stability while maintaining reactivity, making it suitable for controlled polymerization processes. This compound is particularly valuable in the production of specialty coatings, adhesives, and elastomers, where it contributes to improved mechanical and thermal properties. Its liquid form at room temperature facilitates handling and precise dosing in industrial applications.
methyl 2-isocyanato-2-methylpropanoate structure
54213-21-7 structure
Product Name:methyl 2-isocyanato-2-methylpropanoate
CAS No:54213-21-7
MF:C6H9NO3
MW:143.140561819077
CID:2147163
PubChem ID:2769374
Update Time:2025-05-23

methyl 2-isocyanato-2-methylpropanoate Chemical and Physical Properties

Names and Identifiers

    • methyl 2-isocyanato-2-methylpropionate
    • methyl 2-isocyanato-2-methylpropanoate
    • AKOS006230351
    • SCHEMBL981072
    • 2-Isocyanato-2-methylpropanoicacidmethylester
    • 2-Isocyanato-2-methylpropanoic acid methyl ester
    • 54213-21-7
    • ECA21321
    • EN300-1458602
    • 2-Isocyanato-2-methyl-propionic acid methyl ester, AldrichCPR
    • 2-Isocyanato-2-methyl-propionic acid methyl ester
    • 2-isocyanato-2-methylpropionic acid methyl ester
    • G47174
    • DB-297872
    • LHBQMHJYTCLFRO-UHFFFAOYSA-N
    • Inchi: 1S/C6H9NO3/c1-6(2,7-4-8)5(9)10-3/h1-3H3
    • InChI Key: LHBQMHJYTCLFRO-UHFFFAOYSA-N
    • SMILES: O(C)C(C(C)(C)N=C=O)=O

Computed Properties

  • Exact Mass: 143.05800
  • Monoisotopic Mass: 143.058243149Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 179
  • 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
  • XLogP3: 1.7
  • Topological Polar Surface Area: 55.7?2

Experimental Properties

  • PSA: 55.73000
  • LogP: 0.27380

methyl 2-isocyanato-2-methylpropanoate Pricemore >>

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Additional information on methyl 2-isocyanato-2-methylpropanoate

Comprehensive Guide to Methyl 2-Isocyanato-2-Methylpropanoate (CAS No. 54213-21-7): Properties, Applications, and Industry Insights

Methyl 2-isocyanato-2-methylpropanoate (CAS No. 54213-21-7) is a specialized organic compound widely recognized for its unique chemical structure and versatile applications in industrial and research settings. This ester-isocyanate hybrid, often referred to by its systematic name or abbreviated as MIMP, has garnered significant attention due to its role in polymer synthesis, adhesives, and coatings. Its molecular formula, C6H9NO3, combines the reactivity of an isocyanate group with the stability of a methyl ester, making it a valuable intermediate in organic chemistry.

In recent years, the demand for high-performance coatings and sustainable adhesives has surged, driven by industries such as automotive, construction, and electronics. Searches for terms like "isocyanate-based adhesives" and "eco-friendly polymer additives" reflect this trend. Methyl 2-isocyanato-2-methylpropanoate addresses these needs by offering a balance of reactivity and durability, aligning with the growing focus on green chemistry and low-VOC formulations. Researchers are also exploring its potential in biocompatible materials, a hotspot in biomedical engineering.

The synthesis of Methyl 2-isocyanato-2-methylpropanoate typically involves the reaction of 2-methyl-2-hydroxypropanoic acid with methyl isocyanate, followed by careful purification to ensure high purity. Analytical techniques such as GC-MS and NMR spectroscopy are critical for quality control, as impurities can affect downstream applications. Users frequently search for "synthesis of isocyanato esters" and "analytical methods for CAS 54213-21-7," highlighting the need for reliable technical data.

From a safety perspective, proper handling of Methyl 2-isocyanato-2-methylpropanoate requires adherence to standard laboratory protocols, including the use of personal protective equipment (PPE) and ventilation systems. While not classified under restricted categories, its reactivity warrants caution. Online queries like "safe storage of isocyanates" and "handling reactive esters" underscore the importance of education in chemical safety.

Innovations in catalysis and process optimization have further expanded the utility of CAS 54213-21-7. For instance, its incorporation into UV-curable resins aligns with the push for energy-efficient manufacturing. Additionally, the compound’s role in cross-linking agents for elastomers has been explored in tire production, responding to searches for "advanced rubber materials." These developments position Methyl 2-isocyanato-2-methylpropanoate as a key player in next-generation material science.

In conclusion, Methyl 2-isocyanato-2-methylpropanoate (CAS No. 54213-21-7) exemplifies the intersection of innovation and practicality in modern chemistry. Its applications span diverse sectors, from industrial coatings to emerging biomedical technologies, while its synthesis and handling reflect evolving industry standards. As research continues to uncover new possibilities, this compound remains a focal point for scientists and engineers alike.

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