Lot numbers can be found on the outside label of a product:
3-Phenylisoxazol-5-amine
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CAS No. 4369-55-5
- Cat. No. CS-W017937
- Purity≥98%
- MDL No.MFCD00464114
*For research and further manufacturing use only, not for direct human use.
Structure of 4369-55-5
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General Information
- CAS No. 4369-55-5
- Cat. No. CS-W017937
- Purity ≥98%
- MDL No. MFCD00464114
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₈N₂O
- Molecular Weight 160.18
- Synonym(s) Isoxazole, 5-amino-3-phenyl-
- SMILES NC1=CC(C2=CC=CC=C2)=NO1
Description
3-Phenylisoxazol-5-amine features a fused isoxazole ring bearing a pendant phenyl group and a primary amine at the 5-position. This scaffold integrates electron-rich aromaticity with a reactive amine handle, enabling direct coupling in amide bond formation or conjugation workflows. The molecule exhibits robust stability under standard bench conditions and displays favorable solubility in common organic solvents.
Application
3-Phenylisoxazol-5-amine serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to isoxazole-based scaffolds. Its amine functionality facilitates straightforward derivatization via acylation, alkylation, and coupling reactions. The compound exhibits good bench stability and functional group tolerance, making it well-suited for modular synthesis workflows. It functions as a key intermediate in the construction of bioactive molecules, particularly those requiring polar, nitrogen-rich heterocycles with defined spatial orientation.
Synthesis
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Route1
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In-stock
614-16-4 - ~56%
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In-stock
4369-55-5
References
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Rowbottom, Martin W.; Faraoni, Raffaella; Chao, Qi; Campbell, Brian T.; Lai, Andiliy G.; Setti, Eduardo; Ezawa, Maiko; Sprankle, Kelly G.; Abraham, Sunny; Tran, Lan; Struss, Brian; Gibney, Michael; Armstrong, Robert C.; Gunawardane, Ruwanthi N.; Nepomuceno, Ronald R.; Valenta, Ianina; Hua, Helen; Gardner, Michael F.; Cramer, Merryl D.; Gitnick, Dana; Insko, Darren E.; Apuy, Julius L.; Jones-Bolin, Susan; Ghose, Arup K.; Herbertz, Torsten; Ator, Mark A.; Dorsey, Bruce D.; Ruggeri, Bruce; Williams, Michael; Bhagwat, Shripad; James, Joyce; Holladay, Mark W. Journal of Medicinal Chemistry, 2012 , vol. 55, # 3 p. 1082 - 1105
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Route2
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75-05-8 -
934-16-7
- ~50%
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In-stock
4369-55-5
References
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Bourbeau, Matthew P.; Rider, James T. Organic Letters, 2006 , vol. 8, # 17 p. 3679 - 3680
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Route3
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151-50-8
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17082-13-2
- ~75%
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In-stock
4369-55-5
References
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Mohareb, R. M.; Habashi, A.; Hafez, E. A. A.; Sherif, S. M. Archiv der Pharmazie (Weinheim, Germany), 1987 , vol. 320, # 9 p. 776 - 780
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302
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Precautionary Statements : P264-P270-P330-P501
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Quality Control
Computational Chemistry Data
- TPSA 52.05
- LogP 1.9238
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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