Cas no 1159602-35-3 (3-(2,3-Difluorophenyl)-5-methylisoxazole-4-carboxylic acid ethyl ester)
3-(2,3-Difluorophenyl)-5-methylisoxazole-4-carboxylic acid ethyl ester is a fluorinated isoxazole derivative with potential applications in pharmaceutical and agrochemical research. Its structure features a difluorophenyl group and an ethyl ester moiety, enhancing its reactivity and versatility as an intermediate in synthetic chemistry. The presence of fluorine atoms may improve metabolic stability and bioavailability, making it valuable for drug discovery. The ethyl ester group offers flexibility for further functionalization, such as hydrolysis to the corresponding carboxylic acid. This compound is suitable for use in cross-coupling reactions or as a building block for heterocyclic systems. Its well-defined structure ensures reproducibility in synthetic pathways.
1159602-35-3 structure
Product Name:3-(2,3-Difluorophenyl)-5-methylisoxazole-4-carboxylic acid ethyl ester
CAS No:1159602-35-3
MF:C13H11F2NO3
MW:267.228150606155
CID:5525333
Update Time:2025-10-20
3-(2,3-Difluorophenyl)-5-methylisoxazole-4-carboxylic acid ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 3-(2,3-Difluoro-phenyl)-5-methyl-isoxazole-4-carboxylic acid ethyl ester
- 3-(2,3-Difluorophenyl)-5-methylisoxazole-4-carboxylic acid ethyl ester
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- Inchi: 1S/C13H11F2NO3/c1-3-18-13(17)10-7(2)19-16-12(10)8-5-4-6-9(14)11(8)15/h4-6H,3H2,1-2H3
- InChI Key: NAFXHRWKAMNDAT-UHFFFAOYSA-N
- SMILES: O1C(C)=C(C(OCC)=O)C(C2=CC=CC(F)=C2F)=N1
Experimental Properties
- Density: 1.3±0.1 g/cm3
- Melting Point: 198-200℃
- Boiling Point: 368.6±42.0 °C at 760 mmHg
- Flash Point: 176.7±27.9 °C
- Vapor Pressure: 0.0±0.8 mmHg at 25°C
3-(2,3-Difluorophenyl)-5-methylisoxazole-4-carboxylic acid ethyl ester Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
3-(2,3-Difluorophenyl)-5-methylisoxazole-4-carboxylic acid ethyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1580817-5g |
Ethyl 3-(2,3-difluorophenyl)-5-methylisoxazole-4-carboxylate |
1159602-35-3 | 98% | 5g |
¥12087.00 | 2024-08-09 |
3-(2,3-Difluorophenyl)-5-methylisoxazole-4-carboxylic acid ethyl ester Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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