Cas no 426813-87-8 (N-Methyl-N-(propan-2-yl)carbamoyl chloride)

N-Methyl-N-(propan-2-yl)carbamoyl chloride is a reactive carbamoyl chloride derivative used primarily as an intermediate in organic synthesis. Its key advantages include high reactivity in nucleophilic substitution reactions, enabling efficient incorporation of the N-methyl-N-isopropylcarbamoyl moiety into target molecules. The compound is particularly valuable in pharmaceutical and agrochemical research for the synthesis of carbamate and urea derivatives. Its stability under controlled conditions ensures reliable handling in synthetic workflows. The presence of both methyl and isopropyl groups offers steric and electronic modulation, enhancing selectivity in amidation and esterification processes. Proper storage under anhydrous conditions is recommended to maintain its reactivity and shelf life.
N-Methyl-N-(propan-2-yl)carbamoyl chloride structure
426813-87-8 structure
Product Name:N-Methyl-N-(propan-2-yl)carbamoyl chloride
CAS No:426813-87-8
MF:C5H10ClNO
MW:135.592000484467
CID:854824
PubChem ID:21956030
Update Time:2025-11-02

N-Methyl-N-(propan-2-yl)carbamoyl chloride Chemical and Physical Properties

Names and Identifiers

    • methyl(1-methylethyl)carbamic chloride
    • Carbamic chloride, methyl(1-methylethyl)-
    • N-methyl-N-(propan-2-yl)carbamoyl chloride
    • n-methyl-n-isopropylcarbamoyl chloride
    • VMLZTGZTAWBKSP-UHFFFAOYSA-N
    • NE19033
    • N-Methyl-N-(propan-2-yl)carbamoyl chloride
    • Inchi: 1S/C5H10ClNO/c1-4(2)7(3)5(6)8/h4H,1-3H3
    • InChI Key: VMLZTGZTAWBKSP-UHFFFAOYSA-N
    • SMILES: ClC(N(C)C(C)C)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 92.4
  • Topological Polar Surface Area: 20.3

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Additional information on N-Methyl-N-(propan-2-yl)carbamoyl chloride

Comprehensive Guide to N-Methyl-N-(propan-2-yl)carbamoyl chloride (CAS No. 426813-87-8)

N-Methyl-N-(propan-2-yl)carbamoyl chloride (CAS No. 426813-87-8) is a specialized organic compound widely used in pharmaceutical and agrochemical synthesis. This carbamoyl chloride derivative serves as a key intermediate in the production of various bioactive molecules. With the growing demand for custom synthesis and high-purity intermediates, this compound has gained significant attention in research and industrial applications.

The molecular structure of N-Methyl-N-(propan-2-yl)carbamoyl chloride features a reactive carbamoyl chloride functional group, making it valuable for amide bond formation in medicinal chemistry. Recent trends in drug discovery and green chemistry have increased interest in such building blocks. Researchers frequently search for "CAS 426813-87-8 supplier" or "N-Methyl-N-(propan-2-yl)carbamoyl chloride synthesis" when sourcing this material for their projects.

In pharmaceutical applications, N-Methyl-N-(propan-2-yl)carbamoyl chloride is particularly useful for creating N-methylated amides, a common motif in many drug molecules. The compound's stability and reactivity profile make it suitable for parallel synthesis and combinatorial chemistry approaches. Current market analysis shows growing demand for such specialty chemicals in the development of small molecule therapeutics.

The synthesis of N-Methyl-N-(propan-2-yl)carbamoyl chloride typically involves the reaction of isopropylamine with methyl isocyanate followed by chlorination. This process has been optimized for high-yield production while maintaining excellent purity standards. Many researchers inquire about "426813-87-8 technical data sheet" or "N-Methyl carbamoyl chloride storage conditions" when working with this compound.

Quality control for CAS 426813-87-8 requires rigorous analytical methods including HPLC analysis and spectroscopic characterization. The compound's purity is critical for its performance in downstream applications. Recent advancements in process chemistry have enabled more efficient production of such fine chemicals with reduced environmental impact.

From a regulatory perspective, proper handling of N-Methyl-N-(propan-2-yl)carbamoyl chloride requires standard laboratory safety protocols. While not classified as hazardous under normal conditions, users often search for "426813-87-8 safety data" or "carbamoyl chloride handling precautions" to ensure compliance with workplace safety standards.

The global market for pharmaceutical intermediates like N-Methyl-N-(propan-2-yl)carbamoyl chloride continues to expand, driven by increasing R&D investment in targeted therapies. Industry reports suggest particular growth in the contract manufacturing sector for such specialized compounds. Companies frequently look for "CAS 426813-87-8 bulk suppliers" or "custom synthesis carbamoyl chlorides" to meet their production needs.

In academic research, N-Methyl-N-(propan-2-yl)carbamoyl chloride has found applications in developing novel enzyme inhibitors and receptor modulators. Its versatility as a building block makes it valuable for structure-activity relationship studies. Recent publications highlight its use in creating bioactive probes for chemical biology research.

Storage and stability considerations for CAS 426813-87-8 recommend keeping the material in anhydrous conditions at controlled temperatures. Proper chemical storage practices are essential to maintain the compound's reactivity and shelf life. These practical aspects are frequently addressed in queries like "N-Methyl carbamoyl chloride stability" or "426813-87-8 storage recommendations".

The future outlook for N-Methyl-N-(propan-2-yl)carbamoyl chloride appears positive, with emerging applications in peptide chemistry and material science. As synthetic methodologies advance, this compound continues to demonstrate value in both traditional and innovative chemical processes. Its role in molecular design and chemical innovation ensures ongoing relevance in scientific research and industrial applications.

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