Cas no 172833-24-8 (Carbamic acid, (3-cyano-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI))

Carbamic acid, (3-cyano-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI) is a specialized organic compound with potential applications in pharmaceutical and agrochemical synthesis. Its structure features a carbamate group linked to a cyano-substituted propyl chain and a tert-butyl ester moiety, offering versatility as an intermediate in multi-step synthetic pathways. The presence of the cyano group enhances reactivity for further functionalization, while the tert-butyl ester provides stability under various conditions. This compound is particularly useful in protecting group strategies and as a precursor for bioactive molecules. Its well-defined purity and consistent performance make it suitable for research and industrial-scale applications requiring precise molecular control.
Carbamic acid, (3-cyano-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI) structure
172833-24-8 structure
Product Name:Carbamic acid, (3-cyano-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI)
CAS No:172833-24-8
MF:C10H18N2O2
MW:198.262122631073
CID:880171
Update Time:2025-11-02

Carbamic acid, (3-cyano-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI) Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid, (3-cyano-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI)
    • Inchi: 1S/C10H18N2O2/c1-8(6-5-7-11)12-9(13)14-10(2,3)4/h8H,5-6H2,1-4H3,(H,12,13)
    • InChI Key: CRAXYOAUJIFNES-UHFFFAOYSA-N
    • SMILES: C(OC(C)(C)C)(=O)NC(C)CCC#N

Computed Properties

  • Exact Mass: 198.13694
  • Monoisotopic Mass: 198.137
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 234
  • 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
  • Topological Polar Surface Area: 62.1A^2

Experimental Properties

  • PSA: 62.12

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Additional information on Carbamic acid, (3-cyano-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI)

Comprehensive Guide to Carbamic acid, (3-cyano-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI) (CAS No. 172833-24-8)

In the realm of specialty chemicals, Carbamic acid, (3-cyano-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI) (CAS No. 172833-24-8) stands out as a compound of significant interest due to its unique structural features and versatile applications. This comprehensive guide delves into the chemical properties, synthesis, applications, and market trends surrounding this compound, providing valuable insights for researchers, manufacturers, and industry professionals.

The molecular structure of Carbamic acid, (3-cyano-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI) combines a carbamate functional group with a cyano-substituted alkyl chain, making it particularly useful in organic synthesis and pharmaceutical intermediates. With the growing demand for specialty chemical intermediates in drug development, this compound has gained attention for its potential in creating novel therapeutic agents.

Recent advancements in green chemistry have sparked interest in more sustainable production methods for compounds like Carbamic acid, (3-cyano-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI). Researchers are exploring catalytic processes and bio-based routes to synthesize this compound with reduced environmental impact, aligning with the global push toward sustainable chemical manufacturing.

One of the most searched questions regarding this compound relates to its stability and storage conditions. Proper handling of Carbamic acid, (3-cyano-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI) requires attention to moisture sensitivity and temperature control, as these factors can affect its shelf life and performance in subsequent reactions.

The pharmaceutical industry has shown particular interest in CAS No. 172833-24-8 as a potential building block for central nervous system (CNS) drugs. The compound's unique combination of functional groups makes it valuable for creating molecules that can cross the blood-brain barrier, a critical requirement for many neurological treatments.

In analytical chemistry, Carbamic acid, (3-cyano-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI) serves as an important reference standard for method development and quality control. Laboratories frequently search for reliable sources of this compound to ensure accurate results in their analyses of similar structures.

The global market for specialty chemical intermediates like Carbamic acid, (3-cyano-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI) is projected to grow significantly in the coming years. This growth is driven by increasing demand from the pharmaceutical sector and the expansion of custom synthesis services that cater to research and development needs.

Researchers often inquire about the spectroscopic characteristics of CAS No. 172833-24-8. The compound exhibits distinctive peaks in NMR and IR spectra that aid in its identification and purity assessment, making these analytical techniques crucial for quality assurance in production and research applications.

Recent patent literature reveals innovative applications of Carbamic acid, (3-cyano-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI) in the development of novel materials. Its structural features make it suitable for creating specialized polymers with unique properties, opening new possibilities in material science.

For synthetic chemists, understanding the reactivity patterns of Carbamic acid, (3-cyano-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI) is crucial. The compound participates in various transformations, including nucleophilic substitutions and reduction reactions, making it a versatile intermediate in multi-step syntheses.

The purity specifications of CAS No. 172833-24-8 are another frequently searched topic. High-purity grades (>98%) are typically required for pharmaceutical applications, while technical grades may suffice for certain industrial uses, highlighting the importance of proper characterization methods.

Emerging trends in computational chemistry have enabled better prediction of the properties and behavior of compounds like Carbamic acid, (3-cyano-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI). These in silico approaches help researchers design more efficient synthetic routes and anticipate potential applications before laboratory experimentation.

Supply chain considerations for Carbamic acid, (3-cyano-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI) have gained importance in recent years. Manufacturers and researchers alike search for reliable suppliers who can provide consistent quality and documentation, including comprehensive certificates of analysis.

The compound's role in asymmetric synthesis represents an area of active research. The chiral center in Carbamic acid, (3-cyano-1-methylpropyl)-, 1,1-dimethylethyl ester (9CI) makes it potentially valuable for creating enantiomerically pure compounds, which are increasingly important in pharmaceutical development.

Looking ahead, the scientific community continues to explore new applications for CAS No. 172833-24-8 across various disciplines. From medicinal chemistry to materials science, this compound's unique properties ensure its ongoing relevance in chemical research and industrial applications.

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