Lot numbers can be found on the outside label of a product:
2-Methylbenzo[d]oxazole-5-carboxylicacid
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CAS No. 90322-32-0
- Cat. No. CS-D0089
- Purity≥98%
- MDL No.MFCD09759125
*For research and further manufacturing use only, not for direct human use.
![2-Methylbenzo[d]oxazole-5-carboxylicacid|CS-D0089](https://file.chemscene.com/productPIC/CS-D0089.gif)
Structure of 90322-32-0
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General Information
- CAS No. 90322-32-0
- Cat. No. CS-D0089
- Purity ≥98%
- MDL No. MFCD09759125
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₇NO₃
- Molecular Weight 177.16
- Synonym(s) 2-Methylbenzo[d]oxazole-5-carboxylic acid
- SMILES CC1=NC2=CC(C(O)=O)=CC=C2O1
Description
2-Methylbenzo[d]oxazole-5-carboxylic acid features a fused heterocyclic core with a carboxylic acid group at the 5-position, enabling direct conjugation or derivatization in synthetic routes. The methyl substituent enhances lipophilicity and metabolic stability, while the electron-deficient oxazole ring facilitates electrophilic functionalization. This scaffold serves as a key building block in medicinal chemistry for kinase inhibitors and bioactive heterocycles.
Application
2-Methylbenzo[d]oxazole-5-carboxylic acid serves as a versatile heterocyclic building block in medicinal chemistry and materials science. Its fused oxazole scaffold provides structural rigidity and enhanced metabolic stability, while the carboxylic acid functionality enables direct coupling reactions or derivatization. The molecule exhibits good bench stability and facilitates purification via standard chromatographic methods. It functions as a key intermediate for constructing bioactive scaffolds and functionalized aromatic systems in synthetic workflows.
Synthesis
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Route1
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1445-45-0 -
In-stock
1571-72-8 - ~81%
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In-stock
90322-32-0
References
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Tachdjian, Catherine; Patron, Andrew P.; Adamski-Werner, Sara L.; Bakir, Farid; Chen, Qing; Darmohusodo, Vincent; Hobson, Stephen Terrence; Li, Xiaodong; Qi, Ming; Rogers, Daniel Harry; Rinnova, Marketa; Servant, Guy; Tang, Xiao-Qing; Zoller, Mark; Wallace, David; Xing, Amy; Gubernator, Klaus Patent: US2005/84506 A1, 2005 ; Location in patent: Page/Page column 40-41 ; US 20050084506 A1
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Route2
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1445-45-0
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In-stock
2374-03-0 - ~86%
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In-stock
90322-32-0
References
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Walker, Daniel Patrick; Wishka, Donn G.; Corbett, Jeffrey W.; Rauckhorst, Mark R.; Piotrowski, David W.; Groppi JR., Vincent E. Patent: US2003/73707 A1, 2003 ;
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Route3
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91004-38-5 - ~%
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In-stock
90322-32-0
References
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Nagano; Matsumura Journal of the American Chemical Society, 1953 , vol. 75, p. 6237
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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 63.33
- LogP 1.83442
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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