Lot numbers can be found on the outside label of a product:
4-(1,2,4-Oxadiazol-3-yl)aniline
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CAS No. 59908-70-2
- Cat. No. CS-0157499
- Purity≥98%
- MDL No.MFCD11156796
*For research and further manufacturing use only, not for direct human use.
Structure of 59908-70-2
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General Information
- CAS No. 59908-70-2
- Cat. No. CS-0157499
- Purity ≥98%
- MDL No. MFCD11156796
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₇N₃O
- Molecular Weight 161.16
- Synonym(s) 4-(1,2,4-oxadiazol-3-yl)Benzenamine
- SMILES C1=C(C=CC(=C1)N)C2=NOC=N2
Description
4-(1,2,4-Oxadiazol-3-yl)aniline integrates a robust 1,2,4-oxadiazole ring with an aniline handle, delivering enhanced stability and polarity. This electron-deficient heterocycle pairs effectively with amine functionalities in conjugation chemistries, enabling efficient coupling under standard conditions. The scaffold serves as a key building block in medicinal chemistry and materials science applications.
Application
4-(1,2,4-Oxadiazol-3-yl)aniline serves as a versatile heterocyclic building block in medicinal chemistry, enabling the construction of bioactive scaffolds through established coupling reactions. Its stability under standard reaction conditions and compatibility with diverse functional groups facilitate efficient synthesis of pharmaceutical intermediates. The molecule functions as a key linker in target-oriented synthesis, particularly in compounds requiring extended conjugation or hydrogen-bonding capabilities.
Synthesis
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Route1
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In-stock
16013-14-2 - ~92%
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In-stock
59908-70-2
References
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Forest Laboratories Holdings Limited Patent: US2009/239810 A1, 2009 ; Location in patent: Page/Page column 54 ; US 20090239810 A1
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Route2
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1613-86-1 - ~%
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In-stock
59908-70-2
References
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Haugwitz, R. D.; Martinez, A. J.; Venslavsky, J.; Angel, R. G.; Maurer, B. V.; et al. Journal of Medicinal Chemistry, 1985 , vol. 28, # 9 p. 1234 - 1241
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Route3
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In-stock
619-72-7 - ~%
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In-stock
59908-70-2
References
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AGIOS PHARMACEUTICALS, INC.; POPOVICI-MULLER, Janeta; SALITURO, Francesco, G.; SAUNDERS, Jeffrey, O.; TRAVINS, Jeremey; YAN, Shunqi Patent: WO2012/9678 A1, 2012 ; WO 2012/009678 A1
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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-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 64.94
- LogP 1.3188
- H_Acceptors 4
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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