Cas no 3356-95-4 (Ethyl 5-chloro-3-phenylisoxazole-4-carboxylate)
Ethyl 5-chloro-3-phenylisoxazole-4-carboxylate is a versatile heterocyclic compound featuring an isoxazole core substituted with a chloro group at the 5-position and a phenyl ring at the 3-position, esterified at the 4-position. This structure imparts reactivity suitable for further functionalization, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The chloro and ester groups enhance its utility in nucleophilic substitution and condensation reactions. Its stability under standard conditions ensures ease of handling and storage. The compound’s well-defined crystalline form allows for high purity, facilitating precise applications in medicinal chemistry and material science research.
3356-95-4 structure
Product Name:Ethyl 5-chloro-3-phenylisoxazole-4-carboxylate
CAS No:3356-95-4
MF:C12H10ClNO3
MW:251.665702342987
CID:5702850
PubChem ID:53213527
Update Time:2025-06-08
Ethyl 5-chloro-3-phenylisoxazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 4-Isoxazolecarboxylic acid, 5-chloro-3-phenyl-, ethyl ester
- EN300-734171
- CS-0288876
- ethyl 5-chloro-3-phenyl-1,2-oxazole-4-carboxylate
- ethyl5-chloro-3-phenylisoxazole-4-carboxylate
- 3356-95-4
- AKOS015937080
- ethyl 5-chloro-3-phenylisoxazole-4-carboxylate
- Ethyl 5-chloro-3-phenylisoxazole-4-carboxylate
-
- Inchi： 1S/C12H10ClNO3/c1-2-16-12(15)9-10(14-17-11(9)13)8-6-4-3-5-7-8/h3-7H,2H2,1H3
- InChI Key： HPJHKDAROSRKNH-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=O)OCC)C(C2C=CC=CC=2)=NO1
Computed Properties
- Exact Mass: 251.0349209g/mol
- Monoisotopic Mass: 251.0349209g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 269
- 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: 3.2
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- Density: 1.276±0.06 g/cm3(Predicted)
- Melting Point: 53-54 °C
- Boiling Point: 408.3±45.0 °C(Predicted)
- pka: -6.28±0.50(Predicted)
Ethyl 5-chloro-3-phenylisoxazole-4-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-734171-0.05g |
ethyl 5-chloro-3-phenyl-1,2-oxazole-4-carboxylate |
3356-95-4 | 0.05g |
$612.0 | 2023-05-29 | ||
| Enamine | EN300-734171-0.1g |
ethyl 5-chloro-3-phenyl-1,2-oxazole-4-carboxylate |
3356-95-4 | 0.1g |
$640.0 | 2023-05-29 | ||
| Enamine | EN300-734171-0.25g |
ethyl 5-chloro-3-phenyl-1,2-oxazole-4-carboxylate |
3356-95-4 | 0.25g |
$670.0 | 2023-05-29 | ||
| Enamine | EN300-734171-0.5g |
ethyl 5-chloro-3-phenyl-1,2-oxazole-4-carboxylate |
3356-95-4 | 0.5g |
$699.0 | 2023-05-29 | ||
| Enamine | EN300-734171-1.0g |
ethyl 5-chloro-3-phenyl-1,2-oxazole-4-carboxylate |
3356-95-4 | 1g |
$728.0 | 2023-05-29 | ||
| Enamine | EN300-734171-2.5g |
ethyl 5-chloro-3-phenyl-1,2-oxazole-4-carboxylate |
3356-95-4 | 2.5g |
$1428.0 | 2023-05-29 | ||
| Enamine | EN300-734171-5.0g |
ethyl 5-chloro-3-phenyl-1,2-oxazole-4-carboxylate |
3356-95-4 | 5g |
$2110.0 | 2023-05-29 | ||
| Enamine | EN300-734171-10.0g |
ethyl 5-chloro-3-phenyl-1,2-oxazole-4-carboxylate |
3356-95-4 | 10g |
$3131.0 | 2023-05-29 | ||
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1359546-50mg |
Ethyl 5-chloro-3-phenylisoxazole-4-carboxylate |
3356-95-4 | 95% | 50mg |
￥15422.00 | 2024-05-18 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1359546-100mg |
Ethyl 5-chloro-3-phenylisoxazole-4-carboxylate |
3356-95-4 | 95% | 100mg |
￥16127.00 | 2024-05-18 |
Ethyl 5-chloro-3-phenylisoxazole-4-carboxylate Related Literature
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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