Cas no 2207-47-8 (Ethyl 3-Isopropylisoxazole-5-carboxylate)
Ethyl 3-Isopropylisoxazole-5-carboxylate Chemical and Physical Properties
Names and Identifiers
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- Buspirone N-Oxide
- ETHYL 3-ISOPROPYLISOXAZOLE-5-CARBOXYLATE
- LS-03288
- DTXSID801246875
- STK506097
- ALBB-009840
- 2207-47-8
- MFCD12028403
- AKOS005172447
- Ethyl 3-(1-methylethyl)-5-isoxazolecarboxylate
- CS-0333574
- SCHEMBL12271684
- 5-isoxazolecarboxylic acid, 3-(1-methylethyl)-, ethyl ester
- ethyl 3-propan-2-yl-1,2-oxazole-5-carboxylate
- ethyl3-isopropylisoxazole-5-carboxylate
- ethyl 3-isopropyl-1,2-oxazole-5-carboxylate
- ethyl 3-(propan-2-yl)-1,2-oxazole-5-carboxylate
- Ethyl 3-Isopropylisoxazole-5-carboxylate
-
- MDL: MFCD12028403
- Inchi: 1S/C9H13NO3/c1-4-12-9(11)8-5-7(6(2)3)10-13-8/h5-6H,4H2,1-3H3
- InChI Key: SZORJEQCHPOLBC-UHFFFAOYSA-N
- SMILES: O1C(C(=O)OCC)=CC(C(C)C)=N1
Computed Properties
- Exact Mass: 183.08954328g/mol
- Monoisotopic Mass: 183.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 182
- 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: 2.1
- Topological Polar Surface Area: 52.3?2
Ethyl 3-Isopropylisoxazole-5-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | E023975-100mg |
Ethyl 3-Isopropylisoxazole-5-carboxylate |
2207-47-8 | 100mg |
$ 185.00 | 2022-06-05 | ||
| TRC | E023975-250mg |
Ethyl 3-Isopropylisoxazole-5-carboxylate |
2207-47-8 | 250mg |
$ 380.00 | 2022-06-05 | ||
| TRC | E023975-500mg |
Ethyl 3-Isopropylisoxazole-5-carboxylate |
2207-47-8 | 500mg |
$ 600.00 | 2022-06-05 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 040767-500mg |
Ethyl 3-isopropylisoxazole-5-carboxylate |
2207-47-8 | 500mg |
3413CNY | 2021-05-07 | ||
| Chemenu | CM514949-1g |
Ethyl 3-isopropylisoxazole-5-carboxylate |
2207-47-8 | 97% | 1g |
$320 | 2023-01-07 | |
| abcr | AB407399-500 mg |
Ethyl 3-isopropylisoxazole-5-carboxylate |
2207-47-8 | 500mg |
€339.20 | 2023-06-17 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 040767-500mg |
Ethyl 3-isopropylisoxazole-5-carboxylate |
2207-47-8 | 500mg |
3413.0CNY | 2021-07-13 | ||
| abcr | AB407399-500mg |
Ethyl 3-isopropylisoxazole-5-carboxylate; . |
2207-47-8 | 500mg |
€333.00 | 2025-03-19 | ||
| A2B Chem LLC | AF34985-500mg |
Ethyl 3-isopropylisoxazole-5-carboxylate |
2207-47-8 | >95% | 500mg |
$523.00 | 2024-04-20 | |
| Ambeed | A221888-1g |
Ethyl 3-isopropylisoxazole-5-carboxylate |
2207-47-8 | 97% | 1g |
$323.0 | 2024-07-28 |
Ethyl 3-Isopropylisoxazole-5-carboxylate Related Literature
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
Additional information on Ethyl 3-Isopropylisoxazole-5-carboxylate
Ethyl 3-Isopropylisoxazole-5-carboxylate: A Comprehensive Overview
Ethyl 3-isopropylisoxazole-5-carboxylate, also known by its CAS number 2207-47-8, is a versatile organic compound that has garnered significant attention in the fields of organic chemistry and pharmaceutical research. This compound belongs to the class of isoxazoles, which are five-membered heterocyclic compounds containing one oxygen and one nitrogen atom. The structure of ethyl 3-isopropylisoxazole-5-carboxylate consists of an isoxazole ring substituted with an ethoxy group at the 5-position and an isopropyl group at the 3-position, making it a valuable intermediate in the synthesis of various bioactive molecules.
The synthesis of ethyl 3-isopropylisoxazole-5-carboxylate typically involves the reaction of an appropriate aldehyde with an amine derivative in the presence of an acid catalyst, followed by esterification to introduce the ethoxy group. This compound is known for its stability and ease of handling, making it a preferred choice in laboratory settings. Recent studies have highlighted its potential as a precursor for the development of novel drugs targeting various therapeutic areas, including oncology and inflammation.
One of the most notable applications of ethyl 3-isopropylisoxazole-5-carboxylate lies in its role as an intermediate in the synthesis of bioactive compounds. For instance, researchers have explored its use in constructing complex heterocyclic frameworks that exhibit potent anti-tumor activity. In a groundbreaking study published in Journal of Medicinal Chemistry, scientists demonstrated that derivatives of this compound could selectively inhibit key enzymes involved in cancer cell proliferation, thereby opening new avenues for anti-cancer drug development.
Beyond its pharmaceutical applications, ethyl 3-isopropylisoxazole-5-carboxylate has also found utility in agricultural chemistry. Recent investigations have shown that certain derivatives of this compound possess significant insecticidal properties, making them promising candidates for eco-friendly pest control solutions. These findings underscore the versatility of this compound across multiple disciplines.
The physical properties of ethyl 3-isopropylisoxazole-5-carboxylate are well-documented, with a molecular weight of approximately 199 g/mol and a melting point around 110°C. Its solubility in common organic solvents such as dichloromethane and acetonitrile facilitates its use in various synthetic protocols. The compound is also relatively stable under standard storage conditions, although exposure to strong oxidizing agents should be avoided to prevent decomposition.
From a safety standpoint, ethyl 3-isopropylisoxazole-5-carboxylate has been classified as non-toxic under normal handling conditions. However, like all chemicals, it should be stored in a cool, dry place away from incompatible materials. Proper personal protective equipment should be worn during handling to minimize any potential health risks.
In conclusion, ethyl 3-isopropylisoxazole-5-carbox
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