Cas no 643746-85-4 (CARBAMIC ACID, (5-BROMO-2,4-DIFLUOROPHENYL)-, PHENYLMETHYL ESTER)

Carbamic acid, (5-bromo-2,4-difluorophenyl)-, phenylmethyl ester is a specialized organic compound featuring a bromo- and difluoro-substituted phenyl ring coupled with a carbamate ester moiety. This structure imparts unique reactivity, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. The presence of halogen substituents enhances its utility in cross-coupling reactions, while the carbamate group offers stability and versatility for further functionalization. Its well-defined molecular architecture ensures consistent performance in targeted applications, such as the development of bioactive molecules. The compound is typically handled under controlled conditions due to its sensitivity, requiring proper storage and handling to maintain purity and efficacy.
CARBAMIC ACID, (5-BROMO-2,4-DIFLUOROPHENYL)-, PHENYLMETHYL ESTER structure
643746-85-4 structure
Product Name:CARBAMIC ACID, (5-BROMO-2,4-DIFLUOROPHENYL)-, PHENYLMETHYL ESTER
CAS No:643746-85-4
MF:C14H10BrF2NO2
MW:342.135509967804
CID:3405356
PubChem ID:57526944
Update Time:2025-06-09

CARBAMIC ACID, (5-BROMO-2,4-DIFLUOROPHENYL)-, PHENYLMETHYL ESTER Chemical and Physical Properties

Names and Identifiers

    • CARBAMIC ACID, (5-BROMO-2,4-DIFLUOROPHENYL)-, PHENYLMETHYL ESTER
    • JOSHDPMQTVUWJN-UHFFFAOYSA-N
    • EN300-4578072
    • 643746-85-4
    • benzyl N-(5-bromo-2,4-difluorophenyl)carbamate
    • benzyl 5-bromo-2,4-difluorophenylcarbamate
    • SCHEMBL3986319
    • Inchi: 1S/C14H10BrF2NO2/c15-10-6-13(12(17)7-11(10)16)18-14(19)20-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,18,19)
    • InChI Key: JOSHDPMQTVUWJN-UHFFFAOYSA-N
    • SMILES: BrC1=C(C=C(C(=C1)NC(=O)OCC1C=CC=CC=1)F)F

Computed Properties

  • Exact Mass: 340.98630Da
  • Monoisotopic Mass: 340.98630Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 326
  • 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: 3.9
  • Topological Polar Surface Area: 38.3?2

CARBAMIC ACID, (5-BROMO-2,4-DIFLUOROPHENYL)-, PHENYLMETHYL ESTER Pricemore >>

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Additional information on CARBAMIC ACID, (5-BROMO-2,4-DIFLUOROPHENYL)-, PHENYLMETHYL ESTER

Comprehensive Overview of CARBAMIC ACID, (5-BROMO-2,4-DIFLUOROPHENYL)-, PHENYLMETHYL ESTER (CAS No. 643746-85-4)

The compound CARBAMIC ACID, (5-BROMO-2,4-DIFLUOROPHENYL)-, PHENYLMETHYL ESTER (CAS No. 643746-85-4) is a specialized organic molecule with significant applications in pharmaceutical and agrochemical research. Its unique structure, featuring a 5-bromo-2,4-difluorophenyl group and a phenylmethyl ester moiety, makes it a valuable intermediate in the synthesis of bioactive compounds. Researchers and industries are increasingly interested in this compound due to its potential in drug discovery and development.

One of the key reasons for the growing attention on CARBAMIC ACID, (5-BROMO-2,4-DIFLUOROPHENYL)-, PHENYLMETHYL ESTER is its role in the development of novel enzyme inhibitors and receptor modulators. The presence of both bromine and fluorine atoms in its structure enhances its binding affinity to biological targets, making it a promising candidate for therapeutic applications. Recent studies have explored its use in targeting specific pathways involved in metabolic disorders and inflammatory diseases, aligning with current trends in precision medicine.

In the agrochemical sector, CAS No. 643746-85-4 has been investigated for its potential as a pesticide intermediate. The difluorophenyl group contributes to its stability and bioactivity, which are critical for developing next-generation crop protection agents. With the global push towards sustainable agriculture, this compound is being studied for its environmental compatibility and efficacy against resistant pests.

The synthesis of CARBAMIC ACID, (5-BROMO-2,4-DIFLUOROPHENYL)-, PHENYLMETHYL ESTER involves multi-step organic reactions, including esterification and halogenation processes. Advanced techniques such as HPLC and NMR spectroscopy are employed to ensure high purity and accurate characterization. These methods are essential for meeting the stringent quality standards required in pharmaceutical and agrochemical applications.

From a commercial perspective, the demand for CAS No. 643746-85-4 is driven by its versatility and the expanding market for fine chemicals. Suppliers and manufacturers are focusing on scalable production methods to meet the needs of research institutions and industrial clients. The compound's patent status and regulatory compliance are also critical factors influencing its adoption in various regions.

Recent advancements in computational chemistry have further highlighted the potential of CARBAMIC ACID, (5-BROMO-2,4-DIFLUOROPHENYL)-, PHENYLMETHYL ESTER. Molecular docking studies and QSAR modeling have provided insights into its interactions with biological targets, paving the way for rational drug design. These approaches are particularly relevant in the era of AI-driven drug discovery, where speed and accuracy are paramount.

Safety and handling of CAS No. 643746-85-4 are governed by standard laboratory protocols. While it is not classified as hazardous under typical conditions, proper storage and handling are recommended to maintain its stability. Material Safety Data Sheets (MSDS) provide detailed guidelines for its safe use in research and industrial settings.

In conclusion, CARBAMIC ACID, (5-BROMO-2,4-DIFLUOROPHENYL)-, PHENYLMETHYL ESTER (CAS No. 643746-85-4) represents a compelling area of study for scientists and industry professionals. Its applications in pharmaceuticals, agrochemicals, and material science underscore its importance in modern chemistry. As research continues to uncover new uses for this compound, its role in addressing global challenges in health and agriculture is expected to grow.

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