Lot numbers can be found on the outside label of a product:
Isoxazol-3-ylmethanol
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CAS No. 89102-73-8
- Cat. No. CS-W003938
- Purity≥98%
- MDL No.MFCD07778413
*For research and further manufacturing use only, not for direct human use.
Structure of 89102-73-8
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General Information
- CAS No. 89102-73-8
- Cat. No. CS-W003938
- Purity ≥98%
- MDL No. MFCD07778413
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₄H₅NO₂
- Molecular Weight 99.09
- Synonym(s) 3-Isoxazolemethanol
- SMILES OCc1ccon1
Description
Isoxazol-3-ylmethanol delivers a versatile heterocyclic scaffold with a pendant hydroxymethyl group, enabling direct functionalization in synthetic transformations. The molecule features a stable isoxazole ring flanked by a reactive alcohol, facilitating coupling reactions and serving as a key intermediate in medicinal chemistry applications.
Application
Isoxazol-3-ylmethanol serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through standard functional group transformations. Its bench-stable nature and compatibility with common coupling reactions facilitate efficient synthesis of isoxazole-based scaffolds. The alcohol functionality allows for derivatization via esterification, ether formation, or oxidation to carboxylic acid, supporting diverse downstream applications in API development and library synthesis.
Synthesis
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Route1
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In-stock
89180-61-0 - ~99%
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In-stock
89102-73-8
References
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Boehringer Ingelheim International GmbH Patent: US2006/116372 A1, 2006 ; Location in patent: Page/Page column 7 ;
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Route2
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623-47-2 - ~34%
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In-stock
89102-73-8
References
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LABORATORIOS S.A.L.V.A.T., S.A. Patent: EP1437349 A1, 2004 ; Location in patent: Page 31-32 ;
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Route3
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In-stock
3209-70-9 - ~%
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In-stock
89102-73-8
References
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US5089499 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 46.26
- LogP 0.1669
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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