Lot numbers can be found on the outside label of a product:
2-Benzoxazolinone
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CAS No. 59-49-4
- Cat. No. CS-W016534
- Purity≥96%
- MDL No.MFCD00005716
*For research and further manufacturing use only, not for direct human use.
Structure of 59-49-4
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General Information
- CAS No. 59-49-4
- Cat. No. CS-W016534
- Purity ≥96%
- MDL No. MFCD00005716
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₅NO₂
- Molecular Weight None
- Synonym(s) 2-Benzoxazolone; 1,3-Benzoxazol-2(3H)-one; 2-Hydroxybenzoxazole
- SMILES O=C1OC2=CC=CC=C2N1
Description
2-Benzoxazolinone features a fused heterocyclic core combining benzene and oxazolinone rings, offering enhanced stability and predictable reactivity. This scaffold serves as a key building block in medicinal chemistry, enabling direct incorporation into bioactive molecules through selective functionalization at the C-5 position. Its electron-deficient nature facilitates efficient coupling reactions under mild conditions.
Application
2-Benzoxazolinone serves as a versatile building block in synthetic organic chemistry, enabling efficient access to bioactive heterocycles and pharmaceutical intermediates. Its electrophilic carbonyl moiety facilitates nucleophilic addition reactions, while the fused ring system provides structural rigidity and metabolic stability. The compound exhibits excellent bench stability, tolerates diverse functional groups, and simplifies purification—making it ideal for iterative synthesis workflows in medicinal chemistry and process development.
Synthesis
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Route1
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32315-10-9 -
95-55-6
- ~48%
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In-stock
59-49-4
References
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MEMORY PHARMACEUTICALS CORPORATION; DANCA, Mihaela, Diana; DUNN, Robert; TEHIM, Ashok; XIE, Wenge Patent: WO2010/21797 A1, 2010 ; Location in patent: Page/Page column 87 ; WO 2010/021797 A1
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Route2
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32315-10-9
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88-75-5
- ~77%
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In-stock
59-49-4
References
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ASTRUM THERAPEUTICS PTY. LTD. Patent: WO2006/110477 A2, 2006 ; Location in patent: Page/Page column 51; 52 ;
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Route3
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201230-82-2
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95-55-6
- ~89%
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In-stock
59-49-4
References
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Gabriele, Bartolo; Mancuso, Raffaella; Salerno, Giuseppe; Costa, Mirco Journal of Organic Chemistry, 2003 , vol. 68, # 2 p. 601 - 604
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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+H312+H332
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501
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Quality Control
Computational Chemistry Data
- TPSA 46
- LogP 1.1211
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 0
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