Lot numbers can be found on the outside label of a product:
2-Methyl-1,3-benzoxazole-6-carboxylic acid
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CAS No. 13452-14-7
- Cat. No. CS-W003439
- Purity≥97%
- MDL No.MFCD07787266
*For research and further manufacturing use only, not for direct human use.
Structure of 13452-14-7
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General Information
- CAS No. 13452-14-7
- Cat. No. CS-W003439
- Purity ≥97%
- MDL No. MFCD07787266
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₇NO₃
- Molecular Weight None
- Synonym(s) Benzenepropanoicacid,7-methyl-β-oxo-,ethylester
- SMILES CC(O1)=NC2=C1C=C(C(O)=O)C=C2
Description
2-Methyl-1,3-benzoxazole-6-carboxylic acid features a fused heterocyclic core with a carboxylic acid group at the 6-position, enabling direct conjugation in synthetic workflows. The methyl substituent enhances electronic density at the aromatic ring, while the oxazole scaffold imparts stability and planarity. This compound serves as a key building block for bioactive molecule synthesis, particularly in medicinal chemistry and materials science applications.
Application
2-Methyl-1,3-benzoxazole-6-carboxylic acid serves as a versatile building block for heterocyclic synthesis, enabling efficient access to bioactive scaffolds through standard coupling and functionalization reactions. Its carboxylic acid group facilitates direct amide formation and derivatization, while the benzoxazole core provides structural rigidity and metabolic stability. Bench-stable and compatible with common reaction conditions, it supports scalable synthesis in medicinal chemistry and materials applications.
Synthesis
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Route1
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In-stock
![Methyl 2-methylbenzo[d]oxazole-6-carboxylate|CS-0063936](https://file.chemscene.com/productPIC/CS-0063936.gif)
136663-23-5 - ~97%
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In-stock
13452-14-7
References
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Eisai Co., Ltd. Patent: EP1669348 A1, 2006 ; Location in patent: Page/Page column 68 ;
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Route2
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1445-45-0 -
In-stock
2374-03-0 - ~99%
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In-stock
13452-14-7
References
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McElhinny Jr., Charles J.; Lewin, Anita H.; Mascarella, S. Wayne; Runyon, Scott; Brieaddy, Lawrence; Carroll, F. Ivy Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 21 p. 6661 - 6664
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Route3
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64-19-7
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In-stock
2374-03-0
- ~60%
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In-stock
13452-14-7
References
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SANWA KAGAKU KENKYUSHO CO., LTD. Patent: EP1595866 A1, 2005 ; Location in patent: Page/Page column 27 ;
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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-H332-H335
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Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P304+P341-P305+P351+P338-P312-P330-P332+P313-P337+P313-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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