Cas no 177960-38-2 (2,3-Diamino-5-fluoro-benzoic acid)
2,3-Diamino-5-fluoro-benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2,3-Diamino-5-fluoro-benzoic acid
- 2,3-DIAMINO-5-FLUOROBENZOICACID
- 177960-38-2
- SB34330
- G37506
- AB01006659-01
- QOAHUTZAPQUPND-UHFFFAOYSA-N
- MFCD12197351
- AKOS008128965
- SCHEMBL1888280
- EN300-44280
- CHA96038
- 2,3-diamino-5-fluorobenzoic acid
- Benzoic acid, 2,3-diamino-5-fluoro-
- DB-260287
- CS-0216477
- 818-895-9
-
- MDL: MFCD12197351
- Inchi: 1S/C7H7FN2O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,9-10H2,(H,11,12)
- InChI Key: QOAHUTZAPQUPND-UHFFFAOYSA-N
- SMILES: FC1C=C(C(=C(C(=O)O)C=1)N)N
Computed Properties
- Exact Mass: 170.04915563g/mol
- Monoisotopic Mass: 170.04915563g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 188
- 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: 0.7
- Topological Polar Surface Area: 89.3?2
2,3-Diamino-5-fluoro-benzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 15R0215-1g |
2,3-Diamino-5-fluoro-benzoic acid |
177960-38-2 | 97% | 1g |
1509.52CNY | 2021-05-07 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 15R0215-5g |
2,3-Diamino-5-fluoro-benzoic acid |
177960-38-2 | 97% | 5g |
5919.34CNY | 2021-05-07 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 15R0215-500mg |
2,3-Diamino-5-fluoro-benzoic acid |
177960-38-2 | 97% | 500mg |
1178.78CNY | 2021-05-07 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 15R0215-25g |
2,3-Diamino-5-fluoro-benzoic acid |
177960-38-2 | 97% | 25g |
23490.77CNY | 2021-05-07 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 15R0215-250mg |
2,3-Diamino-5-fluoro-benzoic acid |
177960-38-2 | 97% | 250mg |
1017.65CNY | 2021-05-07 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 15R0215-100mg |
2,3-Diamino-5-fluoro-benzoic acid |
177960-38-2 | 97% | 100mg |
831.08CNY | 2021-05-07 | |
| Alichem | A019097294-1g |
2,3-Diamino-5-fluorobenzoic acid |
177960-38-2 | 95% | 1g |
354.24 USD | 2021-06-17 | |
| Apollo Scientific | PC56244-250mg |
2,3-Diamino-5-fluorobenzoic acid |
177960-38-2 | 95% | 250mg |
£195.00 | 2023-09-02 | |
| Apollo Scientific | PC56244-1g |
2,3-Diamino-5-fluorobenzoic acid |
177960-38-2 | 95% | 1g |
£495.00 | 2023-09-02 | |
| TRC | D423425-25mg |
2,3-Diamino-5-fluoro-benzoic acid |
177960-38-2 | 25mg |
$ 50.00 | 2022-06-05 |
2,3-Diamino-5-fluoro-benzoic acid Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
Additional information on 2,3-Diamino-5-fluoro-benzoic acid
Comprehensive Overview of 2,3-Diamino-5-fluoro-benzoic acid (CAS No. 177960-38-2)
2,3-Diamino-5-fluoro-benzoic acid (CAS No. 177960-38-2) is a fluorinated aromatic compound with significant applications in pharmaceutical and agrochemical research. This fluoro-substituted benzoic acid derivative is characterized by its unique molecular structure, featuring two amino groups and a fluorine atom attached to a benzoic acid backbone. The presence of these functional groups makes it a versatile intermediate in organic synthesis, particularly in the development of targeted drug candidates and specialty chemicals.
In recent years, the demand for fluorinated compounds like 2,3-Diamino-5-fluoro-benzoic acid has surged due to their enhanced bioavailability and metabolic stability. Researchers are increasingly exploring its potential in medicinal chemistry, where fluorine incorporation often improves binding affinity and pharmacokinetic properties. This compound is also a subject of interest in crop protection studies, as fluorinated molecules can exhibit superior pest resistance and environmental persistence.
The synthesis of CAS No. 177960-38-2 typically involves multi-step reactions, including halogenation, amination, and carboxylation processes. Advanced techniques such as microwave-assisted synthesis and catalyzed cross-coupling have been employed to optimize yield and purity. Analytical methods like HPLC and NMR spectroscopy are critical for quality control, ensuring compliance with industry standards for high-purity intermediates.
From an environmental perspective, the biodegradability and ecotoxicity of 2,3-Diamino-5-fluoro-benzoic acid are under scrutiny as regulatory frameworks tighten. Sustainable production methods, including green chemistry principles and solvent-free reactions, are being investigated to minimize waste and energy consumption. These efforts align with global trends toward eco-friendly chemical manufacturing.
Market analysts highlight the growing role of fluorinated building blocks in drug discovery pipelines, with CAS No. 177960-38-2 frequently appearing in patents for kinase inhibitors and antibacterial agents. Its compatibility with parallel synthesis techniques further enhances its utility in high-throughput screening platforms. As the pharmaceutical industry shifts toward personalized medicine, such tailored intermediates gain strategic importance.
Storage and handling of 2,3-Diamino-5-fluoro-benzoic acid require attention to moisture sensitivity and light exposure. Standard protocols recommend airtight containers with desiccants and storage at controlled temperatures. These precautions ensure long-term stability for this temperature-sensitive reagent, which is often supplied as a crystalline powder with documented certificates of analysis.
Future research directions may explore its derivatives for neurological disorders or anticancer therapies, leveraging the fluorine atom's ability to modulate blood-brain barrier penetration. Collaborative studies between academia and industry continue to uncover novel applications, reinforcing the compound's relevance in cutting-edge science.
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