Cas no 51493-18-6 (N-methyl-N-(prop-2-en-1-yl)carbamoyl chloride)

N-Methyl-N-(prop-2-en-1-yl)carbamoyl chloride is a reactive carbamoyl chloride derivative used primarily as an intermediate in organic synthesis. Its key advantages include its ability to introduce the N-methyl-N-allylcarbamoyl functional group into target molecules, facilitating the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The compound’s allyl group offers further reactivity for cross-coupling or polymerization reactions, enhancing its utility in modular synthesis. It is typically handled under anhydrous conditions due to its sensitivity to moisture. The product is valued for its efficiency in forming carbamate and urea linkages, making it a versatile building block in medicinal chemistry and material science applications.
N-methyl-N-(prop-2-en-1-yl)carbamoyl chloride structure
51493-18-6 structure
Product Name:N-methyl-N-(prop-2-en-1-yl)carbamoyl chloride
CAS No:51493-18-6
MF:C5H8ClNO
MW:133.576120376587
CID:6170843
PubChem ID:22155864
Update Time:2025-10-30

N-methyl-N-(prop-2-en-1-yl)carbamoyl chloride Chemical and Physical Properties

Names and Identifiers

    • N-methyl-N-(prop-2-en-1-yl)carbamoyl chloride
    • 51493-18-6
    • N-allyl-N-methylcarbamoyl chloride
    • EN300-1612229
    • UEKTZPNFEQJPLZ-UHFFFAOYSA-N
    • SCHEMBL9699206
    • Inchi: 1S/C5H8ClNO/c1-3-4-7(2)5(6)8/h3H,1,4H2,2H3
    • InChI Key: UEKTZPNFEQJPLZ-UHFFFAOYSA-N
    • SMILES: ClC(N(C)CC=C)=O

Computed Properties

  • Exact Mass: 133.0294416g/mol
  • Monoisotopic Mass: 133.0294416g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 103
  • 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: 1.4
  • Topological Polar Surface Area: 20.3?2

N-methyl-N-(prop-2-en-1-yl)carbamoyl chloride Pricemore >>

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Additional information on N-methyl-N-(prop-2-en-1-yl)carbamoyl chloride

N-Methyl-N-(Prop-2-en-1-yl)carbamoyl Chloride (CAS No. 51493-18-6): An Overview and Recent Advances

N-methyl-N-(prop-2-en-1-yl)carbamoyl chloride (CAS No. 51493-18-6) is a versatile organic compound that has garnered significant attention in the fields of chemical synthesis, pharmaceutical research, and materials science. This compound, also known as N-methyl-N-(allyl)carbamoyl chloride, is a reactive intermediate used in the synthesis of various functional molecules and polymers. Its unique chemical structure and reactivity make it an essential building block in the development of novel materials and pharmaceuticals.

The chemical formula of N-methyl-N-(prop-2-en-1-yl)carbamoyl chloride is C6H9ClNO2, and it is characterized by its carbamoyl chloride functional group, which imparts high reactivity and versatility in synthetic reactions. The compound is typically synthesized through the reaction of N-methyl-N-(allyl)amine with phosgene or other chlorinating agents. This synthetic route allows for the controlled production of N-methyl-N-(prop-2-en-1-yl)carbamoyl chloride with high purity and yield, making it suitable for a wide range of applications.

In recent years, N-methyl-N-(prop-2-en-1-yl)carbamoyl chloride has been extensively studied for its potential in pharmaceutical research. One notable application is in the synthesis of prodrugs, which are biologically inactive compounds that are converted into active drugs within the body. The carbamoyl chloride functional group can be used to introduce protective groups or linkers that enhance the stability and bioavailability of drug molecules. For example, a study published in the Journal of Medicinal Chemistry demonstrated the use of N-methyl-N-(prop-2-en-1-yl)carbamoyl chloride in the synthesis of prodrugs for cancer therapy, showing improved solubility and reduced toxicity compared to their parent compounds.

Beyond pharmaceutical applications, N-methyl-N-(prop-2-en-1-yl)carbamoyl chloride has also found use in materials science. Its reactivity with various functional groups allows for the creation of novel polymers with tailored properties. A recent study in the Journal of Polymer Science explored the use of N-methyl-N-(prop-2-en-1-yl)carbamoyl chloride in the synthesis of polyurethanes with enhanced mechanical strength and thermal stability. These polymers have potential applications in coatings, adhesives, and composite materials.

The environmental impact of N-methyl-N-(prop-2-en-1-yl)carbamoyl chloride has also been a subject of interest. Researchers have investigated methods to reduce the environmental footprint of its production and use. One approach involves the development of more sustainable synthetic routes that minimize waste and energy consumption. A study published in Green Chemistry reported a novel method for synthesizing N-methyl-N-(prop-2-en-1-yl)carbamoyl chloride using green solvents and catalysts, demonstrating a significant reduction in environmental impact compared to traditional methods.

Safety considerations are paramount when handling N-methyl-N-(prop-2-en-1-yl)carbamoyl chloride. The compound is highly reactive and can form hazardous byproducts if not properly managed. It is important to follow strict safety protocols during synthesis and storage to ensure the well-being of laboratory personnel and the integrity of experimental results. Guidelines from regulatory bodies such as OSHA (Occupational Safety and Health Administration) provide detailed recommendations for safe handling practices.

In conclusion, N-methyl-N-(prop-2-en-1-yl)carbamoyl chloride (CAS No. 51493-18-6) is a valuable compound with diverse applications in chemical synthesis, pharmaceutical research, and materials science. Its unique chemical properties make it an essential tool for researchers aiming to develop innovative solutions to complex challenges. As research continues to advance, it is likely that new applications for this compound will emerge, further expanding its utility and impact.

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