Lot numbers can be found on the outside label of a product:
Isoxazol-3-ol
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CAS No. 5777-20-8
- Cat. No. CS-0047268
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 5777-20-8
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General Information
- CAS No. 5777-20-8
- Cat. No. CS-0047268
- Purity ≥98%
- MDL No. None
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₃H₃NO₂
- Molecular Weight 85.06
- Synonym(s) Isoxazol-3-one
- SMILES OC1=NOC=C1
Description
1,2-Oxazol-3-ol is a stable heterocyclic scaffold featuring a fused oxazole ring with a hydroxyl group at the 3-position. This arrangement imparts enhanced polarity and hydrogen-bonding capacity, facilitating integration into bioactive molecules. The compound serves as a key intermediate in medicinal chemistry due to its ability to modulate electronic properties and solubility profiles in complex molecular architectures.
Application
1,2-Oxazol-3-ol serves as a versatile building block in synthetic organic chemistry, enabling efficient access to oxazole-containing scaffolds through established cyclization protocols. Its functional group tolerance and bench stability facilitate straightforward incorporation into complex molecular architectures, particularly in the construction of heterocyclic motifs relevant to medicinal chemistry and agrochemical research.
Synthesis
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Route1
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623-47-2 - ~36%
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In-stock
5777-20-8
References
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ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2003/76436 A1, 2003 ; Location in patent: Page/Page column 69 ;
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Route2
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In-stock
5470-11-1 -
623-47-2
- ~36%
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In-stock
5777-20-8
References
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Breault, Gloria Anne; Newcombe, Nicholas John; Thomas, Andrew Peter Patent: US2004/14776 A1, 2004 ; Location in patent: Page/Page column 37 ;
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Route3
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922-67-8
- ~32%
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In-stock
5777-20-8
References
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LegoChem Biosciences, Inc.; CHO, Young Lag; BAEK, Sung Yoon; CHAE, Sang Eun; KIM, Sun Young; LEE, Hong Bum; LEE, Hyang Sook; OH, Kyuman; HEO, Hye Jin; PARK, Tae Kyo; WOO, Sung Ho; KIM, Yong Zu Patent: EP2692727 A2, 2014 ; Location in patent: Paragraph 0164-0167 ;
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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-H315-H319-H332-H335
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Precautionary Statements : P261-P264-P270-P271-P304+P340
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Quality Control
Computational Chemistry Data
- TPSA 46.26
- LogP 0.3802
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 0
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