Cas no 83817-50-9 (4-Isoxazolecarboxylicacid, 3-(2-chlorophenyl)-5-methyl-, ethyl ester)
4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-, ethyl ester is a synthetic organic compound belonging to the isoxazole derivative class. It features a chlorophenyl substituent at the 3-position and a methyl group at the 5-position of the isoxazole ring, with an ethyl ester functional group attached to the carboxylic acid moiety. This structure imparts unique chemical properties, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. The compound exhibits stability under standard conditions and demonstrates potential reactivity for further functionalization, particularly in nucleophilic substitution or hydrolysis reactions. Its chlorophenyl group enhances lipophilicity, which may influence bioavailability in drug development applications. The ethyl ester moiety offers versatility for derivatization, enabling conversion to other useful functionalities.
83817-50-9 structure
Product Name:4-Isoxazolecarboxylicacid, 3-(2-chlorophenyl)-5-methyl-, ethyl ester
CAS No:83817-50-9
MF:C13H12ClNO3
MW:265.692282676697
MDL:MFCD11976994
CID:725529
PubChem ID:3019364
Update Time:2025-07-02
4-Isoxazolecarboxylicacid, 3-(2-chlorophenyl)-5-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Isoxazolecarboxylicacid, 3-(2-chlorophenyl)-5-methyl-, ethyl ester
- Ethyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
- ethyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate
- 4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-, ethyl ester
- NS00038312
- SCHEMBL2774527
- 22MQU398E8
- Ethyl3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate
- EINECS 280-950-2
- Ethyl 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylate
- 83817-50-9
- DTXSID20232700
- 3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxylic acid ethyl ester
- MFCD11976994
-
- MDL： MFCD11976994
- Inchi： 1S/C13H12ClNO3/c1-3-17-13(16)11-8(2)18-15-12(11)9-6-4-5-7-10(9)14/h4-7H,3H2,1-2H3
- InChI Key： QFOIBTBRETTXIK-UHFFFAOYSA-N
- SMILES： ClC1C=CC=CC=1C1C(C(=O)OCC)=C(C)ON=1
Computed Properties
- Exact Mass: 265.0505709g/mol
- Monoisotopic Mass: 265.0505709g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 300
- 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: 52.3?2
4-Isoxazolecarboxylicacid, 3-(2-chlorophenyl)-5-methyl-, ethyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1743388-1g |
Ethyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate |
83817-50-9 | 98% | 1g |
￥4536.00 | 2024-07-28 | |
| abcr | AB334755-250 mg |
Ethyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate; . |
83817-50-9 | 250mg |
€365.20 | 2023-06-21 | ||
| abcr | AB334755-1 g |
Ethyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate; . |
83817-50-9 | 1g |
€831.00 | 2023-06-21 | ||
| Chemenu | CM376770-1g |
ethyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate |
83817-50-9 | 95%+ | 1g |
$*** | 2023-03-29 | |
| abcr | AB334755-250mg |
Ethyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate; . |
83817-50-9 | 250mg |
€365.20 | 2025-04-16 | ||
| abcr | AB334755-1g |
Ethyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate; . |
83817-50-9 | 1g |
€831.00 | 2025-04-16 |
4-Isoxazolecarboxylicacid, 3-(2-chlorophenyl)-5-methyl-, ethyl ester Related Literature
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
83817-50-9 (4-Isoxazolecarboxylicacid, 3-(2-chlorophenyl)-5-methyl-, ethyl ester) Related Products
- 83817-48-5(Potassium 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate)
- 24248-21-3(3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylcarboxylic Acid Ethyl Ester)
- 4402-83-9(3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylcarboxylic Acid Methyl Ester)
- 211429-74-2(4-Isoxazolecarboxylicacid, 3-(2-chlorophenyl)-5-methyl-, 1-methylethyl ester)
- 495417-28-2(4-Isoxazolecarboxylicacid,3-(3-chlorophenyl)-5-methyl-,ethylester(9CI))
- 4357-94-2(Methyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate)
- 23598-72-3(3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid)
- 3919-76-4(3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylcarboxylic Acid)
- 661452-05-7(4-Isoxazolecarboxylic acid, 3-(2,6-dichlorophenyl)-5-methyl-, 2-propynylester)
- 83817-52-1(4-Isoxazolecarboxylicacid, 3-(2-chlorophenyl)-5-methyl-, potassium salt (1:1))
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