Cas no 4369-55-5 (3-phenyl-1,2-oxazol-5-amine)
3-phenyl-1,2-oxazol-5-amine Chemical and Physical Properties
Names and Identifiers
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- 3-Phenylisoxazol-5-amine
- 5-Amino-3-phenylisoxazole
- 3-phenyl-1,2-oxazol-5-amine
- 3-Phenyl-5-isoxazolamine
- 3-Phenylisoxazol-5-ylamine
- NSC 93157
- 5-Isoxazolamine, 3-phenyl-
- 3-phenylisoxazole-5-ylamine
- Isoxazole, 5-amino-3-phenyl-
- phenylisoxazolamine
- PubChem15538
- 3-Phenylisoxazole-5-amine
- 5-Isoxazolamine,3-phenyl-
- 5- Amino-3-phenylisoxazol
- 5-Amino-3-phenyl-isoxazole
- 3-Phenyl isoxazole-5-amine
- U 10776
- 3-phenyl-isoxazol-5-ylamine
- HLOHVVZZMMMDMM-UHFFFAOYSA-N
- HMS1737N08
- 5-Amino-3-phenyl isoxazole
- GEO-00211
- F3284-8011
- AM803906
- NSC93157
- SY014437
- NSC-93157
- AI-031/31962041
- EN300-23673
- A826402
- SCHEMBL224856
- ISOXAZOLE, 5-AMINO-3-PHENYL UPJOHN U-10776
- BB 0218355
- Z164676856
- SB37185
- CS-W017937
- AA-0865
- MFCD00464114
- 5-Amino-3-phenylisoxazole, 97%
- AR2465
- DTXSID20293957
- AKOS000261628
- 4369-55-5
- STK350764
- A2437
- BBL028663
- ALBB-006059
- DB-032026
- VNV
- AC-907/34124064
-
- MDL: MFCD00464114
- Inchi: 1S/C9H8N2O/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,10H2
- InChI Key: HLOHVVZZMMMDMM-UHFFFAOYSA-N
- SMILES: O1C(=CC(C2C=CC=CC=2)=N1)N
Computed Properties
- Exact Mass: 160.06400
- Monoisotopic Mass: 160.064
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 146
- 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: 3
- XLogP3: 1.7
- Topological Polar Surface Area: 52
Experimental Properties
- Color/Form: White crystal powder
- Density: 1.204±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 111.0 to 115.0 deg-C
- Boiling Point: 379.3°C at 760 mmHg
- Flash Point: 183.2°C
- Refractive Index: 1.599
- Solubility: Very slightly soluble (0.5 g/l) (25 o C),
- PSA: 52.05000
- LogP: 2.50500
- Solubility: Uncertain
3-phenyl-1,2-oxazol-5-amine Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H302
- Warning Statement: P264-P270-P301+P312+P330-P501
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 22
- Safety Instruction: 24/25
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- Storage Condition:2-8 °C
- Risk Phrases:R22
3-phenyl-1,2-oxazol-5-amine 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%
3-phenyl-1,2-oxazol-5-amine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 644978-1G |
3-phenyl-1,2-oxazol-5-amine |
4369-55-5 | 97% | 1G |
837.26 | 2021-05-17 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 644978-5G |
3-phenyl-1,2-oxazol-5-amine |
4369-55-5 | 97% | 5G |
4184.16 | 2021-05-17 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 56R0431-1g |
3-Phenyl-isoxazol-5-ylamine |
4369-55-5 | 96% | 1g |
661.47CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 56R0431-5g |
3-Phenyl-isoxazol-5-ylamine |
4369-55-5 | 96% | 5g |
2357.56CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 56R0431-25g |
3-Phenyl-isoxazol-5-ylamine |
4369-55-5 | 96% | 25g |
8251.45CNY | 2021-05-08 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | A2437-5g |
5-Amino-3-phenylisoxazole |
4369-55-5 | >98.0%(HPLC)(N) | 5g |
¥1890.00 | 2024-04-16 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | A2437-1g |
5-Amino-3-phenylisoxazole |
4369-55-5 | >98.0%(HPLC)(N) | 1g |
¥405.00 | 2024-04-16 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-UU972-5g |
3-phenyl-1,2-oxazol-5-amine |
4369-55-5 | 97% | 5g |
1703CNY | 2021-05-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-UU972-1g |
3-phenyl-1,2-oxazol-5-amine |
4369-55-5 | 97% | 1g |
385CNY | 2021-05-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-UU972-250mg |
3-phenyl-1,2-oxazol-5-amine |
4369-55-5 | 97% | 250mg |
216CNY | 2021-05-10 |
3-phenyl-1,2-oxazol-5-amine Suppliers
3-phenyl-1,2-oxazol-5-amine Related Literature
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1. Allenes. Part 42. Nucleophilic addition of hydroxylamine to allenic and acetylenic nitriles; synthesis of 3-alkyl-5-amino, 5-amino-3-phenyl-, and 3-amino-5-phenyl-isoxazolesZ. Tanee Fomum,P. Forsche Asobo,Stephen R. Landor,Phyllis D. Landor J. Chem. Soc. Perkin Trans. 1 1984 1079
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2. Rates and products from thermolysis of 5-azidoisoxazoles in solutionGerrit L'abbé,Leonard Dyall,Kathleen Meersman,Wim Dehaen J. Chem. Soc. Perkin Trans. 2 1996 2111
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T. Nishiwaki,A. Nakano,H. Matsuoka J. Chem. Soc. C 1970 1825
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Aleksei V. Lesiv,Sema L. Ioffe,Yurii A. Strelenko,Igor' V. Bliznets,Vladimir A. Tartakovsky Mendeleev Commun. 2002 12 99
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5. Some 5-unsubstituted acetylenic and vinylic 1,2,4-oxadiazolesJohn A. Claisse,Michael W. Foxton,Gordon I. Gregory,Alan H. Sheppard,Edward P. Tiley,William K. Warburton,Michael J. Wilson J. Chem. Soc. Perkin Trans. 1 1973 2241
Additional information on 3-phenyl-1,2-oxazol-5-amine
Comprehensive Overview of 3-phenyl-1,2-oxazol-5-amine (CAS No. 4369-55-5): Properties, Applications, and Research Insights
3-phenyl-1,2-oxazol-5-amine (CAS No. 4369-55-5) is a heterocyclic organic compound featuring a phenyl-substituted oxazole core. This structurally unique molecule has garnered significant attention in pharmaceutical and agrochemical research due to its versatile reactivity and potential as a building block for bioactive molecules. The oxazole-amine moiety is particularly noteworthy for its role in modulating physicochemical properties, making it a valuable scaffold in drug discovery.
Recent studies highlight the growing demand for 3-phenyl-1,2-oxazol-5-amine derivatives in medicinal chemistry, especially in the development of kinase inhibitors and antimicrobial agents. Researchers are actively exploring its structure-activity relationships (SAR) to optimize therapeutic efficacy. The compound's electron-rich aromatic system enables diverse functionalization, addressing key challenges in small-molecule drug design—a topic frequently searched in academic and industrial forums.
From a synthetic perspective, CAS 4369-55-5 serves as a precursor for multi-component reactions (MCRs), aligning with the current trend toward sustainable chemistry. Its applications extend to materials science, where it contributes to the development of organic semiconductors and fluorescent probes. These interdisciplinary uses reflect its relevance in answering popular search queries like "oxazole applications in optoelectronics" or "amine-functionalized heterocycles."
Analytical characterization of 3-phenyl-1,2-oxazol-5-amine typically involves NMR spectroscopy and mass spectrometry, techniques often discussed in online chemistry communities. Stability studies confirm its compatibility with standard laboratory conditions, though storage under inert atmospheres is recommended to preserve its amine functionality—a detail frequently queried by synthetic chemists.
In agrochemical contexts, derivatives of this compound exhibit promising plant growth regulation properties. Patent literature reveals its incorporation into next-generation crop protection formulations, addressing global concerns about food security—a hot topic in sustainability-focused searches. Regulatory evaluations confirm its compliance with major chemical inventories (e.g., TSCA, REACH), ensuring broad commercial viability.
The compound's molecular docking potential with biological targets has spurred computational chemistry investigations, frequently referenced in AI-driven drug discovery discussions. Its balanced lipophilicity profile (LogP ~2.1) makes it particularly valuable for optimizing bioavailability—a key parameter in pharmaceutical SEO keywords.
Industrial-scale production of 4369-55-5 employs catalytic cyclization methods, with recent innovations focusing on flow chemistry approaches to enhance yield and purity. These advancements respond to frequent manufacturer inquiries about "scalable oxazole synthesis," demonstrating the compound's commercial relevance.
Environmental fate studies indicate moderate biodegradability for 3-phenyl-1,2-oxazol-5-amine, positioning it favorably in green chemistry assessments. This data addresses growing search trends around "eco-friendly heterocycles" and aligns with industry demands for sustainable synthetic intermediates.
Emerging research explores its utility in metal-organic frameworks (MOFs) and covalent organic polymers (COPs), tapping into nanotechnology search trends. The compound's ability to coordinate with transition metals while maintaining thermal stability makes it attractive for advanced material design.
In summary, 3-phenyl-1,2-oxazol-5-amine (CAS 4369-55-5) represents a multifaceted chemical entity bridging pharmaceutical innovation, materials science, and sustainable chemistry. Its continued study addresses both fundamental research questions and practical industrial needs, cementing its status as a high-value heterocyclic building block in modern chemistry.
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