Cas no 10507-52-5 (Carbamic acid, dimethyl-, phenylmethyl ester)

Carbamic acid, dimethyl-, phenylmethyl ester (CAS 2731-72-0) is a carbamate ester with applications in organic synthesis and pharmaceutical intermediates. Its structure features a dimethylcarbamoyl group linked to a benzyl ester moiety, offering reactivity suitable for amidation and esterification processes. The compound is valued for its stability under standard conditions and its role as a versatile building block in the preparation of more complex molecules. It is typically used in controlled environments due to its potential sensitivity to hydrolysis. Proper handling and storage under inert conditions are recommended to maintain its integrity for synthetic applications.
Carbamic acid, dimethyl-, phenylmethyl ester structure
10507-52-5 structure
Product Name:Carbamic acid, dimethyl-, phenylmethyl ester
CAS No:10507-52-5
MF:C10H13NO2
MW:179.215722799301
CID:1150678
PubChem ID:12963450
Update Time:2025-10-12

Carbamic acid, dimethyl-, phenylmethyl ester Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid, dimethyl-, phenylmethyl ester
    • benzyl N,N-dimethylcarbamate
    • CHEMBL2288467
    • DTXSID80514110
    • G39203
    • 10507-52-5
    • Z32014975
    • SCHEMBL5134244
    • EN300-7321966
    • BENZYL DIMETHYLCARBAMATE
    • Inchi: 1S/C10H13NO2/c1-11(2)10(12)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
    • InChI Key: RSQKOKVVSFQCQZ-UHFFFAOYSA-N
    • SMILES: O(C(N(C)C)=O)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 179.09469
  • Monoisotopic Mass: 179.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 162
  • 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: 2.2
  • Topological Polar Surface Area: 29.5?2

Experimental Properties

  • PSA: 29.54

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Additional information on Carbamic acid, dimethyl-, phenylmethyl ester

Carbamic acid, dimethyl-, phenylmethyl ester (CAS No. 10507-52-5): A Comprehensive Overview

Carbamic acid, dimethyl-, phenylmethyl ester, identified by its CAS number 10507-52-5, is a significant compound in the field of organic chemistry and pharmaceutical research. This compound, also known as phenylmethyl carbamate dimethyl ester, has garnered attention due to its versatile applications and structural properties. Its molecular formula, C9H11O3, underscores its role as an ester derivative of carbamic acid, featuring a phenylmethyl (benzyl) group and two methyl groups attached to the carbamate moiety.

The synthesis and characterization of Carbamic acid, dimethyl-, phenylmethyl ester have been extensively studied, particularly in the context of developing novel pharmaceutical intermediates. The compound’s unique structural features make it a valuable building block for more complex molecules. Researchers have explored its reactivity and stability under various conditions, which are crucial for its potential applications in drug synthesis.

In recent years, the interest in this compound has been fueled by its potential role in the development of bioactive molecules. The benzyl group and the ester functionality provide multiple sites for chemical modification, enabling the creation of derivatives with tailored properties. This flexibility has made it a subject of interest in medicinal chemistry, where such compounds are often used as starting materials for more complex drug candidates.

One of the most compelling aspects of Carbamic acid, dimethyl-, phenylmethyl ester is its utility in the synthesis of protease inhibitors. Proteases are enzymes that play critical roles in various biological processes, and their inhibition is a key strategy in the development of anti-inflammatory and antiviral drugs. The carbamate moiety in this compound can interact with the active sites of proteases, making it a promising scaffold for designing potent inhibitors.

Recent studies have highlighted the compound’s potential in addressing neurological disorders. The ability to modulate protease activity has implications for conditions such as Alzheimer’s disease and Parkinson’s disease, where aberrant protein aggregation is a hallmark. By targeting specific proteases with high selectivity, researchers aim to develop treatments that can prevent or reverse these pathological processes.

The pharmacokinetic properties of Carbamic acid, dimethyl-, phenylmethyl ester are also under investigation. Understanding how the compound is absorbed, distributed, metabolized, and excreted (ADME) is essential for optimizing its therapeutic potential. Preliminary studies suggest that the compound exhibits reasonable bioavailability and stability in vitro, which are positive indicators for further development.

In addition to its pharmaceutical applications, this compound has shown promise in materials science. Its structural motifs can be incorporated into polymers and coatings to enhance their functional properties. For instance, the presence of the ester group can improve hydrolytic stability, making it useful in environments where degradation resistance is required.

The synthesis of Carbamic acid, dimethyl-, phenylmethyl ester typically involves the reaction between phenylmethylamine and dimethoxycarbonyl chloride under controlled conditions. This reaction proceeds via nucleophilic substitution, forming the desired carbamate ester. The process requires careful optimization to ensure high yield and purity, which are critical for pharmaceutical applications.

The analytical characterization of this compound has been performed using advanced techniques such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS). These methods provide detailed insights into its molecular structure and purity. Additionally, X-ray crystallography has been employed to determine its solid-state structure, which is essential for understanding its interactions with biological targets.

The future directions for research on Carbamic acid, dimethyl-, phenylmethyl ester include exploring new synthetic routes and expanding its applications. There is a growing interest in green chemistry approaches that minimize waste and energy consumption during synthesis. Furthermore, investigating its interactions with other biomolecules could uncover novel therapeutic possibilities.

In conclusion, Carbamic acid, dimethyl-, phenylmethyl ester (CAS No. 10507-52-5) is a multifaceted compound with significant potential in pharmaceuticals and materials science. Its unique structural features make it a valuable intermediate for drug development and a candidate for functional materials. As research continues to uncover new applications and synthetic strategies, this compound is poised to play an increasingly important role in science and industry.

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