Cas no 90087-37-9 (Ethyl 3-ethylisoxazole-5-carboxylate)
Ethyl 3-ethylisoxazole-5-carboxylate is a versatile isoxazole derivative commonly employed as a key intermediate in organic synthesis and pharmaceutical research. Its structural framework, featuring an ester-functionalized isoxazole ring, makes it valuable for constructing heterocyclic compounds and bioactive molecules. The compound exhibits good stability under standard conditions and demonstrates compatibility with a range of reaction conditions, including nucleophilic substitutions and cyclizations. Its moderate lipophilicity and well-defined reactivity profile enhance its utility in medicinal chemistry, particularly in the development of agrochemicals and pharmacologically active agents. The ethyl ester group further facilitates derivatization, enabling efficient downstream modifications.
90087-37-9 structure
Product Name:Ethyl 3-ethylisoxazole-5-carboxylate
CAS No:90087-37-9
MF:C8H11NO3
MW:169.177842378616
MDL:MFCD12026941
CID:1032451
PubChem ID:14267326
Update Time:2025-06-07
Ethyl 3-ethylisoxazole-5-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Ethyl 3-ethylisoxazole-5-carboxylate
- 90087-37-9
- ethyl 3-ethyl-1,2-oxazole-5-carboxylate
- BB 0258767
- A860906
- AMY24014
- AKOS002160549
- VS-06644
- SCHEMBL14770789
- MFCD12026941
- ethyl3-ethylisoxazole-5-carboxylate
- DTXSID70558189
- BBL017996
- STK503233
- DB-032211
- DB-370344
-
- MDL： MFCD12026941
- Inchi： 1S/C8H11NO3/c1-3-6-5-7(12-9-6)8(10)11-4-2/h5H,3-4H2,1-2H3
- InChI Key： DEEBIXLLZPVKDJ-UHFFFAOYSA-N
- SMILES： O1C(C(=O)OCC)=CC(CC)=N1
Computed Properties
- Exact Mass: 169.07389321g/mol
- Monoisotopic Mass: 169.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 160
- 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: 1.8
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- Density: 1.1±0.1 g/cm3
- Boiling Point: 268.2±28.0 °C at 760 mmHg
- Flash Point: 116.0±24.0 °C
- Vapor Pressure: 0.0±0.5 mmHg at 25°C
Ethyl 3-ethylisoxazole-5-carboxylate 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
- HazardClass：IRRITANT
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
Ethyl 3-ethylisoxazole-5-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B440553-10mg |
ethyl 3-ethylisoxazole-5-carboxylate |
90087-37-9 | 10mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B440553-50mg |
ethyl 3-ethylisoxazole-5-carboxylate |
90087-37-9 | 50mg |
$ 115.00 | 2022-06-07 | ||
| TRC | B440553-100mg |
ethyl 3-ethylisoxazole-5-carboxylate |
90087-37-9 | 100mg |
$ 185.00 | 2022-06-07 | ||
| Chemenu | CM115478-1g |
ethyl 3-ethylisoxazole-5-carboxylate |
90087-37-9 | 95% | 1g |
$282 | 2021-08-06 | |
| Chemenu | CM115478-1g |
ethyl 3-ethylisoxazole-5-carboxylate |
90087-37-9 | 95% | 1g |
$*** | 2023-05-29 | |
| abcr | AB380837-500 mg |
Ethyl 3-ethyl-1,2-oxazole-5-carboxylate; 95% |
90087-37-9 | 500MG |
€313.80 | 2023-02-20 | ||
| abcr | AB380837-1 g |
Ethyl 3-ethyl-1,2-oxazole-5-carboxylate; 95% |
90087-37-9 | 1g |
€406.00 | 2023-04-25 | ||
| abcr | AB380837-5 g |
Ethyl 3-ethyl-1,2-oxazole-5-carboxylate; 95% |
90087-37-9 | 5g |
€1074.00 | 2023-04-25 | ||
| eNovation Chemicals LLC | Y1002841-5g |
Ethyl 3-ethylisoxazole-5-carboxylate |
90087-37-9 | 95% | 5g |
$850 | 2024-07-24 | |
| abcr | AB380837-500mg |
Ethyl 3-ethyl-1,2-oxazole-5-carboxylate, 95%; . |
90087-37-9 | 95% | 500mg |
€333.00 | 2025-04-15 |
Ethyl 3-ethylisoxazole-5-carboxylate Related Literature
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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4. Agricultural
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
90087-37-9 (Ethyl 3-ethylisoxazole-5-carboxylate) Related Products
- 1004-96-2(Methyl 3-methylisoxazole-5-carboxylate)
- 2207-47-8(Ethyl 3-Isopropylisoxazole-5-carboxylate)
- 14716-92-8(3-propyl-1,2-oxazole-5-carboxylic acid)
- 85153-59-9(butyl 3-methylisoxazole-5-carboxylate)
- 359689-20-6(methyl 3-acetyl-1,2-oxazole-5-carboxylate)
- 63366-79-0(ethyl 3-methyl-1,2-oxazole-5-carboxylate)
- 14633-22-8(3-Isopropylisoxazole-5-carboxylic acid)
- 14633-21-7(3-Ethylisoxazole-5-carboxylic acid)
- 910321-87-8(5-Isoxazolecarboxylic acid, 3-ethyl-, methyl ester)
- 133674-35-8(Methyl 3-isopropylisoxazole-5-carboxylate)
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