Cas no 1268052-94-3 (Ethyl (3,4-difluoro-2-iodophenyl)carbamate)
Ethyl (3,4-difluoro-2-iodophenyl)carbamate Chemical and Physical Properties
Names and Identifiers
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- Ethyl (3,4-difluoro-2-iodophenyl)carbamate
- J-520826
- SCHEMBL1275026
- Ethyl(3,4-difluoro-2-iodophenyl)carbamate
- (3,4-difluoro-2-iodo-phenyl)-carbamic acid ethyl ester
- 1268052-94-3
- RBLTZAWFOAQQQK-UHFFFAOYSA-N
- ethyl N-(3,4-difluoro-2-iodophenyl)carbamate
- DB-264954
- ethyl 3,4-difluoro-2-iodophenylcarbamate
-
- Inchi: 1S/C9H8F2INO2/c1-2-15-9(14)13-6-4-3-5(10)7(11)8(6)12/h3-4H,2H2,1H3,(H,13,14)
- InChI Key: RBLTZAWFOAQQQK-UHFFFAOYSA-N
- SMILES: IC1C(=C(C=CC=1NC(=O)OCC)F)F
Computed Properties
- Exact Mass: 326.95678g/mol
- Monoisotopic Mass: 326.95678g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 230
- 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: 2.7
- Topological Polar Surface Area: 38.3?2
Ethyl (3,4-difluoro-2-iodophenyl)carbamate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019114327-1g |
Ethyl (3,4-difluoro-2-iodophenyl)carbamate |
1268052-94-3 | 95% | 1g |
487.60 USD | 2021-06-17 | |
| Crysdot LLC | CD12156571-1g |
Ethyl (3,4-difluoro-2-iodophenyl)carbamate |
1268052-94-3 | 95+% | 1g |
$564 | 2024-07-23 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1770494-1g |
Ethyl (3,4-difluoro-2-iodophenyl)carbamate |
1268052-94-3 | 98% | 1g |
¥4231.00 | 2024-08-09 |
Ethyl (3,4-difluoro-2-iodophenyl)carbamate Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
Additional information on Ethyl (3,4-difluoro-2-iodophenyl)carbamate
Comprehensive Overview of Ethyl (3,4-difluoro-2-iodophenyl)carbamate (CAS No. 1268052-94-3)
Ethyl (3,4-difluoro-2-iodophenyl)carbamate (CAS No. 1268052-94-3) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This compound, characterized by its unique 3,4-difluoro-2-iodophenyl moiety, serves as a versatile intermediate in the synthesis of bioactive molecules. Its structural features, including the ethyl carbamate group and halogen substitutions, make it a valuable building block for drug discovery and material science applications.
In recent years, the demand for halogenated phenyl carbamates like Ethyl (3,4-difluoro-2-iodophenyl)carbamate has surged due to their role in developing targeted therapies and precision agriculture solutions. Researchers are particularly interested in its potential to modulate enzyme activity or serve as a scaffold for small-molecule inhibitors. The compound's iodo and difluoro substitutions enhance its reactivity in cross-coupling reactions, a hot topic in modern green chemistry and catalysis research.
From a synthetic chemistry perspective, CAS No. 1268052-94-3 exemplifies the growing trend of halogen-diverse chemical libraries, which are critical for high-throughput screening in drug development. Its carbamate functional group also aligns with current interests in prodrug design, as carbamates are known for their hydrolytic stability and controlled release properties. These attributes make it a subject of study in ADME optimization (Absorption, Distribution, Metabolism, Excretion) workflows.
The compound's relevance extends to PET radiopharmaceuticals, where its iodine atom could potentially be replaced with fluorine-18 for imaging applications. This connects to the broader theranostics trend—combining therapy and diagnostics—which dominates discussions in oncological research. Additionally, its fluorine atoms contribute to membrane permeability, a key consideration in blood-brain barrier penetration studies for neurological disorders.
Quality control of Ethyl (3,4-difluoro-2-iodophenyl)carbamate involves advanced analytical techniques like HPLC-MS and NMR spectroscopy, reflecting industry standards for high-purity intermediates. As regulatory frameworks evolve, documentation of its synthetic pathways and impurity profiles has become essential for GMP compliance in pharmaceutical manufacturing. These aspects are frequently searched by professionals in process chemistry forums.
Environmental considerations surrounding halogenated compounds have also put CAS 1268052-94-3 under scrutiny regarding biodegradability and eco-friendly synthesis routes. This aligns with the sustainable chemistry movement, where researchers explore catalytic iodination methods to reduce waste. Such developments are often highlighted in ACS Green Chemistry publications and patent literature.
In material science, derivatives of this compound show promise in liquid crystal formulations and organic semiconductors, tapping into the booming flexible electronics market. The electronic effects of its difluoro and iodo substituents on aromatic systems are subjects of computational chemistry studies, frequently discussed in density functional theory (DFT) research papers.
For procurement specialists, understanding the supply chain for 1268052-94-3 involves tracking custom synthesis capabilities and scalability of production methods. These practical concerns are reflected in search queries about multi-kilogram batches and tech transfer protocols. The compound's shelf stability under various storage conditions is another frequently searched topic in chemical inventory management systems.
Looking ahead, Ethyl (3,4-difluoro-2-iodophenyl)carbamate exemplifies the intersection of medicinal chemistry and materials innovation. Its dual applicability positions it as a compound of interest in both life sciences and advanced materials sectors—a duality that resonates with current convergent technology trends. As research continues, its derivatives may unlock new possibilities in personalized medicine and smart materials, making it a noteworthy subject for interdisciplinary collaboration.
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