Cas no 530157-09-6 (Carbamic acid, ethyl-2-propenyl-, 1,1-dimethylethyl ester)

Carbamic acid, ethyl-2-propenyl-, 1,1-dimethylethyl ester is a specialized organic compound with applications in synthetic chemistry, particularly as a protected intermediate in peptide and polymer synthesis. The tert-butyl ester group enhances stability, allowing controlled reactivity under selective conditions. Its ethyl-2-propenyl moiety provides versatility for further functionalization, such as radical or nucleophilic additions. This compound is valued for its role in introducing carbamate-protected amines into molecular frameworks, offering compatibility with a range of reagents. Suitable for controlled polymerization or stepwise synthesis, it is handled under inert conditions to preserve its reactive alkene functionality. Storage at low temperatures is recommended to maintain integrity.
Carbamic acid, ethyl-2-propenyl-, 1,1-dimethylethyl ester structure
530157-09-6 structure
Product Name:Carbamic acid, ethyl-2-propenyl-, 1,1-dimethylethyl ester
CAS No:530157-09-6
MF:C10H19NO2
MW:185.26336312294
CID:1584725
PubChem ID:71365398
Update Time:2025-08-05

Carbamic acid, ethyl-2-propenyl-, 1,1-dimethylethyl ester Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid, ethyl-2-propenyl-, 1,1-dimethylethyl ester
    • tert-butyl allyl(ethyl)carbamate
    • tert-butyl N-ethyl-N-prop-2-enylcarbamate
    • Ethyl-(2-propenyl)-carbamic acid, 1,1-dimethylethyl ester
    • EN300-4346639
    • QUFBSMRRKUFHOO-UHFFFAOYSA-N
    • 530157-09-6
    • ethyl(2-propenyl)-carbamic acid, 1,1-dimethylethyl ester
    • tert-Butyl ethyl(prop-2-en-1-yl)carbamate
    • AKOS016817064
    • tert-butyl N-ethyl-N-(prop-2-en-1-yl)carbamate
    • allyl-ethyl-carbamic acid tert-butyl ester
    • SCHEMBL3178526
    • DB-321695
    • ethyl(2-propenyl)-carbamic acid 1,1-dimethylethyl ester
    • DTXSID00788816
    • ethyl(2-propenyl)carbamic acid 1,1-dimethylethyl ester
    • Inchi: 1S/C10H19NO2/c1-6-8-11(7-2)9(12)13-10(3,4)5/h6H,1,7-8H2,2-5H3
    • InChI Key: QUFBSMRRKUFHOO-UHFFFAOYSA-N
    • SMILES: O(C(N(CC=C)CC)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 185.14167
  • Monoisotopic Mass: 185.141578849g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 5
  • Complexity: 182
  • 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: 2.1
  • Topological Polar Surface Area: 29.5?2

Experimental Properties

  • PSA: 29.54

Carbamic acid, ethyl-2-propenyl-, 1,1-dimethylethyl ester Pricemore >>

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Additional information on Carbamic acid, ethyl-2-propenyl-, 1,1-dimethylethyl ester

Carbamic acid, ethyl-2-propenyl-, 1,1-dimethylethyl ester (CAS No. 530157-09-6): A Comprehensive Overview

Carbamic acid, ethyl-2-propenyl-, 1,1-dimethylethyl ester, identified by its unique chemical identifier CAS No. 530157-09-6, is a compound of significant interest in the field of organic chemistry and pharmaceutical research. This compound, characterized by its complex molecular structure, has garnered attention due to its potential applications in the synthesis of novel agrochemicals and pharmaceutical intermediates. The molecular formula and structural properties of this ester make it a versatile building block for further chemical modifications and functional group transformations.

The structural framework of Carbamic acid, ethyl-2-propenyl-, 1,1-dimethylethyl ester consists of an ethyl group attached to a carbamic acid moiety, which is further esterified with a 2-propenyl group. The presence of the 1,1-dimethylethyl (tert-butyl) group provides steric hindrance and enhances the compound's stability against unwanted side reactions. This unique combination of functional groups makes it an attractive candidate for use in synthetic chemistry, particularly in the development of more complex molecules.

In recent years, there has been growing interest in the applications of this compound within the pharmaceutical industry. Researchers have been exploring its potential as a precursor for the synthesis of bioactive molecules. The ethyl carbamate moiety is known to be a versatile intermediate that can be easily modified to introduce various pharmacophores. This flexibility has led to its incorporation in several drug discovery programs aimed at identifying novel therapeutic agents.

One of the most compelling aspects of Carbamic acid, ethyl-2-propenyl-, 1,1-dimethylethyl ester is its role in the development of agrochemicals. The compound's structural features make it suitable for use as an intermediate in the synthesis of herbicides and pesticides. Recent studies have demonstrated its efficacy in protecting crops from harmful pathogens while maintaining environmental safety. The tert-butyl group, in particular, contributes to the compound's lipophilicity, enhancing its absorption and distribution within plant tissues.

The synthesis of this compound involves multi-step organic reactions that require precise control over reaction conditions. Advanced synthetic methodologies have been employed to optimize yield and purity. Techniques such as palladium-catalyzed cross-coupling reactions and enzymatic catalysis have been particularly effective in constructing the desired molecular framework efficiently. These advancements have not only improved the accessibility of Carbamic acid, ethyl-2-propenyl-, 1,1-dimethylethyl ester but also opened new avenues for further chemical exploration.

The pharmacological properties of this compound have been extensively studied in vitro and in vivo. Preliminary findings suggest that it exhibits moderate bioactivity across multiple biological targets. Its ability to interact with specific enzymes and receptors makes it a promising candidate for further development into therapeutic agents. Researchers are particularly interested in its potential applications in treating neurological disorders due to its ability to cross the blood-brain barrier efficiently.

The environmental impact of using Carbamic acid, ethyl-2-propenyl-, 1,1-dimethylethyl ester as an intermediate has also been carefully evaluated. Studies indicate that it degrades into non-toxic byproducts under normal environmental conditions, minimizing ecological risks. This characteristic aligns with the growing demand for sustainable chemical practices in both pharmaceutical and agrochemical industries.

In conclusion, Carbamic acid, ethyl-2-propenyl-, 1,1-dimethylethyl ester (CAS No. 530157-09-6) represents a significant advancement in synthetic chemistry with broad applications across multiple industries. Its unique structural features and functional groups make it an invaluable tool for researchers developing new drugs and agrochemicals. As our understanding of organic chemistry continues to evolve, compounds like this one will play an increasingly crucial role in addressing global challenges in health and agriculture.

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