Cas no 56934-59-9 (propan-2-yl (phenylcarbamoyl)formate)

Propan-2-yl (phenylcarbamoyl)formate is a carbamate ester compound with applications in organic synthesis and pharmaceutical intermediates. Its structure features a phenylcarbamoyl group linked to a formate ester, providing reactivity useful in amide and urethane formation. The isopropyl ester moiety enhances solubility in organic solvents, facilitating reactions under mild conditions. This compound is valued for its stability and selective reactivity, making it suitable for controlled derivatization in peptide and heterocyclic chemistry. It may serve as a protecting group or building block in multi-step syntheses. Handling requires standard precautions for carbamates, including avoidance of moisture and strong bases to prevent decomposition.
propan-2-yl (phenylcarbamoyl)formate structure
56934-59-9 structure
Product Name:propan-2-yl (phenylcarbamoyl)formate
CAS No:56934-59-9
MF:C11H13NO3
MW:207.225823163986
CID:347292
PubChem ID:2320643
Update Time:2025-06-11

propan-2-yl (phenylcarbamoyl)formate Chemical and Physical Properties

Names and Identifiers

    • Acetic acid, oxo(phenylamino)-, 1-methylethyl ester
    • propan-2-yl 2-anilino-2-oxoacetate
    • propan-2-yl (phenylcarbamoyl)formate
    • AKOS001025703
    • SR-01000009518
    • Z56755854
    • F0835-0042
    • isopropyl 2-oxo-2-(phenylamino)acetate
    • SCHEMBL11464467
    • DTXSID60368077
    • 56934-59-9
    • SR-01000009518-1
    • Inchi: 1S/C11H13NO3/c1-8(2)15-11(14)10(13)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13)
    • InChI Key: MJPLPRYORYZQEN-UHFFFAOYSA-N
    • SMILES: O(C(C(NC1C=CC=CC=1)=O)=O)C(C)C

Computed Properties

  • Exact Mass: 207.08959
  • Monoisotopic Mass: 207.08954328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 232
  • 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: 1.9
  • Topological Polar Surface Area: 55.4?2

Experimental Properties

  • PSA: 55.4

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Additional information on propan-2-yl (phenylcarbamoyl)formate

Introduction to Propan-2-yl (phenylcarbamoyl)formate (CAS No. 56934-59-9)

Propan-2-yl (phenylcarbamoyl)formate, with the chemical identifier CAS No. 56934-59-9, is a specialized organic compound that has garnered attention in the field of pharmaceutical and chemical research. This compound belongs to the class of carbamates, which are widely recognized for their versatile applications in medicinal chemistry, agrochemicals, and material science. The structural integrity of this molecule, featuring a propan-2-yl group and a phenylcarbamoyl moiety, positions it as a valuable intermediate in synthetic chemistry and drug development.

The significance of Propan-2-yl (phenylcarbamoyl)formate lies in its potential as a building block for more complex molecules. In recent years, there has been a surge in research focusing on carbamate-based compounds due to their efficacy in modulating biological pathways. For instance, studies have demonstrated the role of carbamates in inhibiting enzymes and receptors involved in inflammatory responses, making them promising candidates for therapeutic applications.

One of the most compelling aspects of Propan-2-yl (phenylcarbamoyl)formate is its reactivity, which allows for further functionalization through various chemical transformations. Researchers have leveraged this property to develop novel derivatives with enhanced pharmacological properties. For example, modifications to the phenylcarbamoyl group have led to compounds with improved solubility and bioavailability, critical factors in drug formulation.

In the realm of drug discovery, Propan-2-yl (phenylcarbamoyl)formate has been utilized in the synthesis of small-molecule inhibitors targeting specific disease pathways. Recent advancements in computational chemistry have enabled the rapid screening of such intermediates, accelerating the identification of lead compounds. This synergy between experimental synthesis and computational modeling underscores the compound's importance in modern drug development pipelines.

The pharmaceutical industry has also explored the use of Propan-2-yl (phenylcarbamoyl)formate in the development of next-generation agrochemicals. Carbamate-based pesticides are valued for their environmental compatibility and low toxicity to non-target organisms. Innovations in this area have led to formulations that offer prolonged efficacy while minimizing ecological impact.

From a synthetic chemistry perspective, Propan-2-yl (phenylcarbamoyl)formate serves as a versatile precursor for constructing more intricate molecular architectures. Its incorporation into heterocyclic systems has yielded compounds with novel biological activities. For instance, derivatives featuring fused rings or additional functional groups have shown promise in preclinical studies as potential treatments for neurological disorders.

The industrial production of Propan-2-yl (phenylcarbamoyl)formate adheres to stringent quality control measures to ensure consistency and purity. Advanced purification techniques, such as column chromatography and recrystallization, are employed to isolate the compound in high yields. These processes are critical for maintaining the integrity of downstream applications where even minor impurities can affect performance.

Future research directions involving Propan-2-yl (phenylcarbamoyl)formate may explore its role in green chemistry initiatives. The development of sustainable synthetic routes could reduce the environmental footprint associated with its production. Additionally, investigating its interactions with biological targets at a molecular level could uncover new therapeutic possibilities.

The broader impact of Propan-2-yl (phenylcarbamoyl)formate on science and industry is underscored by its multifaceted applications. Whether as an intermediate in drug synthesis or a component in advanced materials, this compound exemplifies the intersection of chemistry and innovation. As research continues to evolve, its significance is likely to grow further, driving new discoveries and practical applications across multiple domains.

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