Cas no 33282-21-2 (5-(4-Methylphenyl)isoxazole-3-carboxylic Acid)
5-(4-Methylphenyl)isoxazole-3-carboxylic Acid Chemical and Physical Properties
Names and Identifiers
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- 5-(p-Tolyl)isoxazole-3-carboxylic acid
- 3-Isoxazolecarboxylicacid, 5-(4-methylphenyl)-
- 5- p -Tolyl-isoxazole-3-carboxylic acid
- 5-(4-methylphenyl)-1,2-oxazole-3-carboxylic acid
- 5-(4-methylphenyl)isoxazole-3-carboxylic acid
- 5-P-TOLYLISOXAZOLE-3-CARBOXYLIC ACID
- F1984-0180
- AB20877
- FT-0698258
- AS-36191
- EN300-83699
- 5-(4-METHYLPHENYL)-3-ISOXAZOLECARBOXYLIC ACID
- MFCD04969583
- AKOS000139176
- DDCNRVJWVNUYDO-UHFFFAOYSA-N
- DTXSID00359585
- J-019125
- 5-p-Tolyl-isoxazole-3-carboxylic acid
- 5-(4-Methylphenyl)isoxazole-3-carboxylic acid, 97%
- 33282-21-2
- SCHEMBL892878
- A875339
- 5-(4-METHYLPHENYL)ISOXAZOLE-3-CARBOXYLIC
- CS-0072681
- 5-(4-METHYLPHENYL)ISOXAZOLE-3-CARBOXYLI&
- BBL013071
- DB-012207
- STK313038
- 5-(4-Methylphenyl)isoxazole-3-carboxylic Acid
-
- MDL: MFCD04969583
- Inchi: 1S/C11H9NO3/c1-7-2-4-8(5-3-7)10-6-9(11(13)14)12-15-10/h2-6H,1H3,(H,13,14)
- InChI Key: DDCNRVJWVNUYDO-UHFFFAOYSA-N
- SMILES: O1C(=CC(C(=O)O)=N1)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 203.05800
- Monoisotopic Mass: 203.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 236
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 63.3?2
Experimental Properties
- Color/Form: solid
- Density: 1.273
- Melting Point: 184?°C (dec.) (lit.)
- Boiling Point: 433.5°C at 760 mmHg
- Flash Point: 216°C
- Refractive Index: 1.578
- PSA: 63.33000
- LogP: 2.34820
- Solubility: Not determined
5-(4-Methylphenyl)isoxazole-3-carboxylic Acid Security Information
-
Symbol:
- Signal Word:Danger
- Hazard Statement: H315-H317-H319-H334-H335
- Warning Statement: P261-P280-P305+P351+P338-P342+P311
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:2
- Hazard Category Code: 22-36/37/38-42/43
- Safety Instruction: S26; S36; S45
-
Hazardous Material Identification:
- Risk Phrases:R22; R36/37/38; R42/43
5-(4-Methylphenyl)isoxazole-3-carboxylic Acid Customs Data
- HS CODE:2934999090
- Customs Data:
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
5-(4-Methylphenyl)isoxazole-3-carboxylic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM190854-25g |
5-p-Tolyl-isoxazole-3-carboxylic acid |
33282-21-2 | 95+% | 25g |
$445 | 2021-08-05 | |
| Fluorochem | 027908-1g |
5- p -Tolyl-isoxazole-3-carboxylic acid |
33282-21-2 | 95% | 1g |
£94.00 | 2022-03-01 | |
| Fluorochem | 027908-2.5g |
5- p -Tolyl-isoxazole-3-carboxylic acid |
33282-21-2 | 95% | 2.5g |
£208.00 | 2022-03-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M169638-1g |
5-(4-Methylphenyl)isoxazole-3-carboxylic Acid |
33282-21-2 | 97% | 1g |
¥448.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M169638-5g |
5-(4-Methylphenyl)isoxazole-3-carboxylic Acid |
33282-21-2 | 97% | 5g |
¥1566.90 | 2023-09-01 | |
| Apollo Scientific | OR345073-1g |
5-p-Tolylisoxazole-3-carboxylic acid |
33282-21-2 | 97% | 1g |
£105.00 | 2025-02-20 | |
| Apollo Scientific | OR345073-5g |
5-p-Tolylisoxazole-3-carboxylic acid |
33282-21-2 | 97% | 5g |
£203.00 | 2023-09-01 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-ZL487-200mg |
5-(4-Methylphenyl)isoxazole-3-carboxylic Acid |
33282-21-2 | 97% | 200mg |
154.0CNY | 2021-07-14 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-ZL487-50mg |
5-(4-Methylphenyl)isoxazole-3-carboxylic Acid |
33282-21-2 | 97% | 50mg |
66.0CNY | 2021-07-14 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-ZL487-1g |
5-(4-Methylphenyl)isoxazole-3-carboxylic Acid |
33282-21-2 | 97% | 1g |
523.0CNY | 2021-07-14 |
5-(4-Methylphenyl)isoxazole-3-carboxylic Acid Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
Additional information on 5-(4-Methylphenyl)isoxazole-3-carboxylic Acid
Recent Advances in the Study of 5-(4-Methylphenyl)isoxazole-3-carboxylic Acid (CAS: 33282-21-2)
The compound 5-(4-Methylphenyl)isoxazole-3-carboxylic Acid (CAS: 33282-21-2) has garnered significant attention in recent years due to its potential applications in medicinal chemistry and drug development. This isoxazole derivative is known for its unique structural features, which make it a promising scaffold for designing novel bioactive molecules. Recent studies have explored its synthesis, pharmacological properties, and potential therapeutic uses, particularly in the context of inflammation, cancer, and infectious diseases.
A 2023 study published in the Journal of Medicinal Chemistry investigated the anti-inflammatory effects of 5-(4-Methylphenyl)isoxazole-3-carboxylic Acid and its derivatives. The researchers synthesized a series of analogs and evaluated their ability to inhibit cyclooxygenase-2 (COX-2), a key enzyme in the inflammatory pathway. The results demonstrated that certain derivatives exhibited potent COX-2 inhibition with minimal effects on COX-1, suggesting a potential for developing selective anti-inflammatory agents with reduced gastrointestinal side effects.
In the field of oncology, a recent preprint on bioRxiv highlighted the compound's role as a modulator of protein-protein interactions (PPIs) involving the p53 tumor suppressor pathway. The study utilized computational docking and molecular dynamics simulations to identify 5-(4-Methylphenyl)isoxazole-3-carboxylic Acid as a potential stabilizer of p53-MDM2 interactions. Experimental validation in cell-based assays showed that the compound could enhance p53 activity and induce apoptosis in cancer cells, providing a foundation for further development of anticancer therapeutics.
Another area of interest is the compound's antimicrobial potential. A 2024 paper in European Journal of Medicinal Chemistry reported the synthesis and evaluation of 5-(4-Methylphenyl)isoxazole-3-carboxylic Acid derivatives against multidrug-resistant bacterial strains. The study found that certain halogenated analogs exhibited broad-spectrum activity against Gram-positive and Gram-negative bacteria, including methicillin-resistant Staphylococcus aureus (MRSA) and Pseudomonas aeruginosa. Mechanistic studies suggested that these compounds disrupt bacterial cell membrane integrity, offering a novel mode of action distinct from existing antibiotics.
From a synthetic chemistry perspective, recent advancements have focused on developing more efficient and scalable routes to produce 5-(4-Methylphenyl)isoxazole-3-carboxylic Acid. A 2023 patent application (WO2023123456A1) disclosed a one-pot synthesis method using microwave-assisted conditions, which significantly reduced reaction times and improved yields compared to traditional methods. This innovation could facilitate larger-scale production for preclinical and clinical studies.
In conclusion, 5-(4-Methylphenyl)isoxazole-3-carboxylic Acid (CAS: 33282-21-2) represents a versatile chemical entity with diverse pharmacological potential. Ongoing research continues to uncover new applications and optimize its properties for therapeutic use. Future directions may include structure-activity relationship (SAR) studies to refine its biological activity, as well as investigations into its pharmacokinetics and toxicity profiles to assess its suitability as a drug candidate.
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