Cas no 2649056-79-9 (1-(butan-2-yl)-1-isocyanatocyclopropane)

1-(Butan-2-yl)-1-isocyanatocyclopropane is a cyclopropane-based isocyanate compound characterized by its reactive isocyanate functional group and branched alkyl substituent. This structure imparts unique reactivity, making it valuable in specialized organic synthesis, particularly in the preparation of polyurethanes, ureas, and other isocyanate-derived polymers. The cyclopropane ring enhances steric and electronic effects, potentially influencing polymerization kinetics and material properties. Its tailored reactivity allows for controlled crosslinking in high-performance coatings, adhesives, or elastomers. The compound’s stability and compatibility with various substrates make it suitable for applications requiring precise molecular design. Proper handling is essential due to the isocyanate group’s sensitivity to moisture and potential health hazards.
1-(butan-2-yl)-1-isocyanatocyclopropane structure
2649056-79-9 structure
Product Name:1-(butan-2-yl)-1-isocyanatocyclopropane
CAS No:2649056-79-9
MF:C8H13NO
MW:139.194922208786
CID:6291417
PubChem ID:105428042
Update Time:2025-05-20

1-(butan-2-yl)-1-isocyanatocyclopropane Chemical and Physical Properties

Names and Identifiers

    • 1-(butan-2-yl)-1-isocyanatocyclopropane
    • EN300-1819292
    • 2649056-79-9
    • Inchi: 1S/C8H13NO/c1-3-7(2)8(4-5-8)9-6-10/h7H,3-5H2,1-2H3
    • InChI Key: XSGYKDQWIBPAFH-UHFFFAOYSA-N
    • SMILES: O=C=NC1(C(C)CC)CC1

Computed Properties

  • Exact Mass: 139.099714038g/mol
  • Monoisotopic Mass: 139.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 166
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3
  • Topological Polar Surface Area: 29.4?2

1-(butan-2-yl)-1-isocyanatocyclopropane Pricemore >>

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Additional information on 1-(butan-2-yl)-1-isocyanatocyclopropane

1-(Butan-2-yl)-1-isocyanatocyclopropane (CAS No. 2649056-79-9): An Overview of Its Properties and Applications

1-(Butan-2-yl)-1-isocyanatocyclopropane (CAS No. 2649056-79-9) is a unique and versatile compound that has garnered significant attention in recent years due to its potential applications in various fields, including pharmaceuticals, materials science, and chemical synthesis. This compound is characterized by its distinct molecular structure, which consists of a cyclopropane ring substituted with an isocyanate group and a butan-2-yl group. The combination of these functional groups imparts unique chemical properties that make it an attractive candidate for a wide range of applications.

The isocyanate group in 1-(butan-2-yl)-1-isocyanatocyclopropane is particularly noteworthy due to its reactivity with amines, alcohols, and other nucleophiles. This reactivity allows for the formation of urea and urethane linkages, which are essential in the synthesis of polymers, coatings, and adhesives. The cyclopropane ring, on the other hand, adds rigidity and stability to the molecule, which can be beneficial in designing compounds with specific physical and chemical properties.

In the pharmaceutical industry, 1-(butan-2-yl)-1-isocyanatocyclopropane has shown promise as a building block for the synthesis of drug molecules. Recent studies have explored its use in the development of novel therapeutic agents. For instance, researchers at the University of California have reported the synthesis of a series of compounds derived from 1-(butan-2-yl)-1-isocyanatocyclopropane that exhibit potent anti-inflammatory properties. These compounds are being evaluated for their potential in treating chronic inflammatory diseases such as rheumatoid arthritis and Crohn's disease.

Beyond pharmaceutical applications, 1-(butan-2-yl)-1-isocyanatocyclopropane has also found use in materials science. The compound's ability to form robust urethane linkages makes it an ideal candidate for the development of high-performance coatings and adhesives. A recent study published in the Journal of Applied Polymer Science demonstrated that coatings formulated with 1-(butan-2-yl)-1-isocyanatocyclopropane-based polymers exhibited superior resistance to abrasion and chemical degradation compared to traditional coatings.

The synthesis of 1-(butan-2-yl)-1-isocyanatocyclopropane typically involves several steps, including the formation of the cyclopropane ring and the introduction of the isocyanate group. One common approach involves the reaction of a suitable cyclopropyl alcohol with phosgene or an equivalent reagent to form the isocyanate. This process requires careful control of reaction conditions to ensure high yields and purity. Advances in catalytic methods have further improved the efficiency and selectivity of these reactions, making large-scale production more feasible.

The safety profile of 1-(butan-2-yl)-1-isocyanatocyclopropane is another important consideration. While isocyanates are generally known for their potential health hazards, particularly respiratory issues, proper handling and storage protocols can significantly mitigate these risks. Researchers at the National Institute for Occupational Safety and Health (NIOSH) have developed guidelines for safe handling and disposal of isocyanate-containing compounds, which should be strictly followed in both laboratory and industrial settings.

In conclusion, 1-(butan-2-yl)-1-isocyanatocyclopropane (CAS No. 2649056-79-9) is a multifaceted compound with a wide range of potential applications. Its unique molecular structure and chemical properties make it a valuable tool in pharmaceutical research, materials science, and chemical synthesis. Ongoing research continues to uncover new uses for this compound, highlighting its importance in advancing various scientific fields.

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