Lot numbers can be found on the outside label of a product:
3,5-Dimethylisoxasole-4-carboxylic acid
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CAS No. 2510-36-3
- Cat. No. CS-W002245
- Purity≥98%
- MDL No.MFCD00051657
*For research and further manufacturing use only, not for direct human use.
Structure of 2510-36-3
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General Information
- CAS No. 2510-36-3
- Cat. No. CS-W002245
- Purity ≥98%
- MDL No. MFCD00051657
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₇NO₃
- Molecular Weight 141.12
- Synonym(s) 3,5-Dimethylisoxazole-4-carboxylic acid
- SMILES OC(=O)c1c(C)noc1C
Description
3,5-Dimethylisoxazole-4-carboxylic acid features a sterically hindered isoxazole core with dual methyl substitutions that enhance metabolic stability and lipophilicity. The carboxylic acid group enables direct conjugation or derivatization in synthetic routes. This scaffold integrates readily into bioactive molecules requiring moderate polarity and resistance to enzymatic degradation under standard conditions.
Application
3,5-Dimethylisoxazole-4-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling efficient access to bioactive heterocyclic scaffolds. Its ortho-dicarboxylic motif facilitates coupling reactions and cyclizations under standard conditions. The molecule exhibits good bench stability, mild acidity, and compatibility with diverse functional groups, simplifying purification and integration into multi-step syntheses.
Synthesis
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Route1
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In-stock
19788-37-5 - ~%
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In-stock
2510-36-3
References
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Zhurnal Obshchei Khimii, , vol. 28, p. 2736,2743; engl. Ausg. S. 2762, 2768
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Route2
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In-stock
19788-36-4 - ~%
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In-stock
2510-36-3
References
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Zhurnal Obshchei Khimii, , vol. 28, p. 2736,2743; engl. Ausg. S. 2762, 2768
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Route3
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10557-82-1 - ~%
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In-stock
2510-36-3
References
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J. Gen. Chem. USSR (Engl. Transl.), , vol. 33, p. 1192 - 1196,1170 - 1173
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Safety Information
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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 0.98964
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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