Lot numbers can be found on the outside label of a product:
4-Methyl-2-(methylthio)pyrimidine-5-carboxylic acid
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CAS No. 98276-75-6
- Cat. No. CS-0078675
- Purity≥95%
- MDL No.MFCD02187391
*For research and further manufacturing use only, not for direct human use.
Structure of 98276-75-6
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General Information
- CAS No. 98276-75-6
- Cat. No. CS-0078675
- Purity ≥95%
- MDL No. MFCD02187391
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₈N₂O₂S
- Molecular Weight 184.22
- Synonym(s) 4-methyl-2-methylsulfanylpyrimidine-5-carboxylic acid
- SMILES CC1=NC(SC)=NC=C1C(O)=O
Description
4-Methyl-2-(methylthio)pyrimidine-5-carboxylic acid features a pyrimidine core functionalized with a methylthio group at C2 and a carboxylic acid at C5, enabling direct integration into bioactive molecule scaffolds. The electron-rich methylthio moiety enhances reactivity in cross-coupling processes, while the carboxylic acid serves as a handle for amide bond formation. This compound demonstrates stability under standard bench conditions and compatibility with diverse synthetic transformations.
Application
4-Methyl-2-(methylthio)pyrimidine-5-carboxylic acid serves as a versatile heterocyclic building block for medicinal chemistry and agrochemical synthesis. Its pyrimidine core supports diverse functionalization, while the carboxylic acid enables amide coupling, esterification, and metal complexation. The methylthio group offers moderate stability and orthogonal reactivity, facilitating downstream transformations. Bench-stable and readily purified by recrystallization, it functions effectively in standard peptide coupling and multistep synthesis workflows.
Synthesis
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Route1
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In-stock
7234-25-5 - ~95%
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In-stock
98276-75-6
References
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KUMIAI CHEMICAL INDUSTRY CO., LTD.; Ihara Chemical Industry Co., Ltd. Patent: EP1439169 A1, 2004 ; Location in patent: Page 97 ;
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Route2
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2986-19-8 -
122-51-0 - ~%
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In-stock
98276-75-6
References
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Bioorganic and Medicinal Chemistry Letters, , vol. 12, # 18 p. 2573 - 2577
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Route3
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134653-70-6
- ~%
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In-stock
98276-75-6
References
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Farmaco, , vol. 48, # 3 p. 335 - 355
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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-P330-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 63.08
- LogP 1.20512
- H_Acceptors 4
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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