Cas no 57381-63-2 (2-Chloro-5-fluorobenzoic acid ethyl ester)
2-Chloro-5-fluorobenzoic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Chloro-5-fluorobenzoic acid ethyl ester
- 57381-63-2
- SCHEMBL11801981
- Ethyl2-chloro-5-fluorobenzoate
- DB-364978
- Ethyl 2-chloro-5-fluorobenzoate
- Ethyl 2-chloro-5-fluoro-benzoate
- Benzoic acid, 2-chloro-5-fluoro-, ethyl ester
- MFCD06205162
- E89903
- CS-0193206
- GWENTXANAYAWIK-UHFFFAOYSA-N
- DTXSID901022333
-
- MDL: MFCD06205162
- Inchi: 1S/C9H8ClFO2/c1-2-13-9(12)7-5-6(11)3-4-8(7)10/h3-5H,2H2,1H3
- InChI Key: GWENTXANAYAWIK-UHFFFAOYSA-N
- SMILES: ClC1C=CC(=CC=1C(=O)OCC)F
Computed Properties
- Exact Mass: 202.0196853g/mol
- Monoisotopic Mass: 202.0196853g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 187
- 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: 3.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.266±0.06 g/cm3 (20 oC 760 Torr),
- Boiling Point: 253.4±25.0 oC (760 Torr),
- Flash Point: 103.8±12.3 oC,
- Solubility: Very slightly soluble (0.15 g/l) (25 o C),
2-Chloro-5-fluorobenzoic acid ethyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB527657-500 mg |
Ethyl 2-chloro-5-fluorobenzoate; . |
57381-63-2 | 500MG |
€164.00 | 2022-07-29 | ||
| abcr | AB527657-1 g |
Ethyl 2-chloro-5-fluorobenzoate; . |
57381-63-2 | 1g |
€209.80 | 2022-07-29 | ||
| abcr | AB527657-500mg |
Ethyl 2-chloro-5-fluorobenzoate; . |
57381-63-2 | 500mg |
€172.40 | 2023-09-01 | ||
| abcr | AB527657-1g |
Ethyl 2-chloro-5-fluorobenzoate; . |
57381-63-2 | 1g |
€187.50 | 2025-04-17 | ||
| A2B Chem LLC | AG77116-250mg |
Ethyl 2-chloro-5-fluorobenzoate |
57381-63-2 | 250mg |
$75.00 | 2024-04-19 | ||
| A2B Chem LLC | AG77116-1g |
Ethyl 2-chloro-5-fluorobenzoate |
57381-63-2 | 1g |
$150.00 | 2024-04-19 | ||
| A2B Chem LLC | AG77116-5g |
Ethyl 2-chloro-5-fluorobenzoate |
57381-63-2 | 5g |
$400.00 | 2024-04-19 | ||
| A2B Chem LLC | AG77116-25g |
Ethyl 2-chloro-5-fluorobenzoate |
57381-63-2 | 25g |
$1600.00 | 2024-04-19 | ||
| A2B Chem LLC | AG77116-100g |
Ethyl 2-chloro-5-fluorobenzoate |
57381-63-2 | 100g |
$3900.00 | 2024-04-19 | ||
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1263876-500mg |
Ethyl 2-chloro-5-fluorobenzoate |
57381-63-2 | 95+% | 500mg |
¥1317.00 | 2024-05-08 |
2-Chloro-5-fluorobenzoic acid ethyl ester Related Literature
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
-
J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
Additional information on 2-Chloro-5-fluorobenzoic acid ethyl ester
Recent Advances in the Application of 2-Chloro-5-fluorobenzoic Acid Ethyl Ester (CAS: 57381-63-2) in Chemical Biology and Pharmaceutical Research
2-Chloro-5-fluorobenzoic acid ethyl ester (CAS: 57381-63-2) is a fluorinated aromatic ester that has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This compound serves as a key intermediate in the synthesis of various bioactive molecules, including potential drug candidates. Recent studies have explored its utility in medicinal chemistry, particularly in the development of novel enzyme inhibitors and receptor modulators. The presence of both chloro and fluoro substituents on the aromatic ring enhances its reactivity and binding affinity, making it a valuable building block for drug discovery.
In a 2023 study published in the Journal of Medicinal Chemistry, researchers utilized 2-Chloro-5-fluorobenzoic acid ethyl ester as a precursor for the synthesis of a series of benzamide derivatives targeting the epidermal growth factor receptor (EGFR). The study demonstrated that the introduction of the chloro-fluoro moiety significantly improved the inhibitory activity of the resulting compounds against EGFR mutants, which are often associated with resistance to existing therapies. The findings highlight the potential of this compound in addressing unmet medical needs in oncology.
Another notable application of 2-Chloro-5-fluorobenzoic acid ethyl ester was reported in a recent Bioorganic & Medicinal Chemistry Letters article, where it was employed as a key intermediate in the synthesis of novel antifungal agents. The researchers synthesized a library of triazole-containing derivatives and evaluated their activity against Candida albicans and Aspergillus fumigatus. The results indicated that derivatives incorporating the chloro-fluoro benzoate scaffold exhibited enhanced antifungal activity compared to their non-halogenated counterparts, suggesting a promising avenue for the development of new antifungal therapies.
Beyond its applications in drug discovery, 2-Chloro-5-fluorobenzoic acid ethyl ester has also been investigated for its potential in chemical biology. A 2022 study in ACS Chemical Biology explored its use as a fluorescent probe for detecting reactive oxygen species (ROS) in cellular systems. The researchers designed a ROS-sensitive derivative that exhibited a significant fluorescence turn-on response upon oxidation, enabling real-time monitoring of oxidative stress in live cells. This application underscores the compound's versatility beyond traditional medicinal chemistry.
In conclusion, recent research on 2-Chloro-5-fluorobenzoic acid ethyl ester (CAS: 57381-63-2) demonstrates its broad utility in pharmaceutical and chemical biology applications. Its unique structural features make it a valuable building block for drug discovery, particularly in the development of enzyme inhibitors and antifungal agents. Additionally, its potential as a chemical probe for biological studies further expands its relevance in modern research. Future studies may explore additional derivatives and applications of this compound, particularly in addressing emerging challenges in drug resistance and diagnostic imaging.
57381-63-2 (2-Chloro-5-fluorobenzoic acid ethyl ester) Related Products
- 85953-29-3(Methyl 2-chloro-4-fluorobenzoate)
- 1214379-08-4(Ethyl 2-chloro-3-fluorobenzoate)
- 647020-63-1(methyl 2-chloro-5-fluoro-benzoate)
- 1261541-73-4(Ethyl 2-chloro-3,4-difluorobenzoate)
- 167758-87-4(ethyl 2-chloro-4-fluorobenzoate)
- 91322-84-8(Benzoic acid, 2-chloro-4-fluoro-, (2-chloro-4-fluorophenyl)methyl ester)
- 103318-75-8(benzoic acid, 2,4-dichloro-5-fluoro-, ethyl ester)
- 128800-37-3(Ethyl 2-chloro-4,5-difluorobenzoate)
- 647020-70-0(Methyl 2-chloro-3-fluorobenzoate)
- 1215206-26-0(tert-Butyl 2-chloro-5-fluorobenzoate)