Cas no 90643-65-5 (3-methyl-5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid)
3-Methyl-5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid is a heterocyclic carboxylic acid featuring an oxazole core substituted with methyl and isobutyl groups. This compound is of interest in synthetic organic chemistry due to its functionalized structure, which serves as a versatile intermediate for the development of pharmaceuticals, agrochemicals, and specialty chemicals. The oxazole ring contributes to its stability, while the carboxylic acid moiety allows for further derivatization through amidation, esterification, or other coupling reactions. Its structural features make it suitable for applications in medicinal chemistry, particularly in the design of bioactive molecules. The compound is typically handled under standard laboratory conditions, with purity and reactivity optimized for synthetic workflows.
90643-65-5 structure
Product Name:3-methyl-5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid
CAS No:90643-65-5
MF:C9H13NO3
MW:183.204422712326
MDL:MFCD11584322
CID:2182736
PubChem ID:28275752
Update Time:2025-06-07
3-methyl-5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-Isobutyl-3-methyl-isoxazole-4-carboxylic acid
- 3-methyl-5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid
- MFCD11584322
- CS-0330391
- 5-Isobutyl-3-methylisoxazole-4-carboxylicacid
- 90643-65-5
- 5-Isobutyl-3-methylisoxazole-4-carboxylic acid
- SB39775
- DB-263596
- AKOS006318856
-
- MDL： MFCD11584322
- Inchi： 1S/C9H13NO3/c1-5(2)4-7-8(9(11)12)6(3)10-13-7/h5H,4H2,1-3H3,(H,11,12)
- InChI Key： PAYRNPYQQKCATQ-UHFFFAOYSA-N
- SMILES： O1C(=C(C(=O)O)C(C)=N1)CC(C)C
Computed Properties
- Exact Mass: 183.08954328g/mol
- Monoisotopic Mass: 183.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 193
- 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: 1.9
- Topological Polar Surface Area: 63.3?2
3-methyl-5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM190970-1g |
5-isobutyl-3-methylisoxazole-4-carboxylic acid |
90643-65-5 | 95% | 1g |
$659 | 2021-08-05 | |
| TRC | I789305-10mg |
5-Isobutyl-3-methyl-isoxazole-4-carboxylic Acid |
90643-65-5 | 10mg |
$ 50.00 | 2022-06-04 | ||
| TRC | I789305-50mg |
5-Isobutyl-3-methyl-isoxazole-4-carboxylic Acid |
90643-65-5 | 50mg |
$ 160.00 | 2022-06-04 | ||
| TRC | I789305-100mg |
5-Isobutyl-3-methyl-isoxazole-4-carboxylic Acid |
90643-65-5 | 100mg |
$ 250.00 | 2022-06-04 | ||
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 56R0529-1g |
5-Isobutyl-3-methyl-isoxazole-4-carboxylic acid |
90643-65-5 | 96% | 1g |
8463.46CNY | 2021-05-07 | |
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 56R0529-5g |
5-Isobutyl-3-methyl-isoxazole-4-carboxylic acid |
90643-65-5 | 96% | 5g |
33904.74CNY | 2021-05-07 | |
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 56R0529-500mg |
5-Isobutyl-3-methyl-isoxazole-4-carboxylic acid |
90643-65-5 | 96% | 500mg |
4655.75CNY | 2021-05-07 | |
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 56R0529-250mg |
5-Isobutyl-3-methyl-isoxazole-4-carboxylic acid |
90643-65-5 | 96% | 250mg |
2756.14CNY | 2021-05-07 | |
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 56R0529-100mg |
5-Isobutyl-3-methyl-isoxazole-4-carboxylic acid |
90643-65-5 | 96% | 100mg |
1797.85CNY | 2021-05-07 | |
| JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd. | 56R0529-50mg |
5-Isobutyl-3-methyl-isoxazole-4-carboxylic acid |
90643-65-5 | 96% | 50mg |
1322.95CNY | 2021-05-07 |
3-methyl-5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
90643-65-5 (3-methyl-5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid) Related Products
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