Lot numbers can be found on the outside label of a product:
2-Methyl-oxazole-4-carboxylic acid methyl ester
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CAS No. 85806-67-3
- Cat. No. CS-W003035
- Purity≥98%
- MDL No.MFCD03265460
*For research and further manufacturing use only, not for direct human use.
Structure of 85806-67-3
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General Information
- CAS No. 85806-67-3
- Cat. No. CS-W003035
- Purity ≥98%
- MDL No. MFCD03265460
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₇NO₃
- Molecular Weight 141.12
- Synonym(s) Methyl 2-methyloxazole-4-carboxylate
- SMILES COC(=O)c1coc(n1)C
Description
2-Methyl-oxazole-4-carboxylic acid methyl ester features a polar oxazole core with a methyl substituent at the 2-position and an ester group at C4, enabling direct integration into heterocyclic synthesis. The electron-deficient oxazole ring enhances reactivity in cross-coupling and nucleophilic substitution processes. This bench-stable, moisture-tolerant reagent streamlines access to bioactive scaffolds in medicinal chemistry.
Application
2-Methyl-oxazole-4-carboxylic acid methyl ester serves as a versatile building block in heterocyclic synthesis, enabling efficient access to oxazole-based scaffolds prevalent in medicinal chemistry. Its methyl ester functionality facilitates straightforward derivatization via hydrolysis or nucleophilic substitution, while the 2-methyl group enhances stability and modulates reactivity. The compound exhibits excellent bench stability, compatibility with standard coupling conditions, and ease of purification—making it well-suited for iterative synthesis workflows and API precursor development.
Synthesis
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Route1
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155884-28-9 - ~73%
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In-stock
85806-67-3
References
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Williams, David R.; Lowder, Patrick D.; Gu, Yu-Gui; Brooks, Dawn A. Tetrahedron Letters, 1997 , vol. 38, # 3 p. 331 - 334
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Route2
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141029-63-2
- ~85%
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In-stock
85806-67-3
References
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Lafontaine, Jennifer A.; Provencal, David P.; Gardelli, Cristina; Leahy, James W. Journal of Organic Chemistry, 2003 , vol. 68, # 11 p. 4215 - 4234
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Route3
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In-stock
60187-67-9 - ~%
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In-stock
85806-67-3
References
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Journal of Organic Chemistry, , vol. 58, # 21 p. 5759 - 5764
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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 : H315-H319-H335-H412
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Precautionary Statements : P261-P264-P271-P273-P280-P302+P352-P304+P340-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 52.33
- LogP 0.76962
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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