Lot numbers can be found on the outside label of a product:
5-Methoxypyrimidine
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CAS No. 31458-33-0
- Cat. No. CS-0019049
- Purity≥98%
- MDL No.MFCD04971313
*For research and further manufacturing use only, not for direct human use.
Structure of 31458-33-0
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General Information
- CAS No. 31458-33-0
- Cat. No. CS-0019049
- Purity ≥98%
- MDL No. MFCD04971313
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₅H₆N₂O
- Molecular Weight 110.11
- Synonym(s) Pyrimidine,5-methoxy-(6CI,7CI,8CI,9CI)
- SMILES COC1=CN=CN=C1
Description
5-Methoxypyrimidine serves as a key heterocyclic scaffold in medicinal chemistry, featuring a methoxy group at the 5-position that enhances solubility and modulates electronic properties. This bench-stable compound integrates readily into diverse synthetic pathways, enabling efficient access to functionalized pyrimidine derivatives for drug discovery applications.
Application
5-Methoxypyrimidine serves as a versatile heterocyclic building block in medicinal chemistry and agrochemical synthesis. Its pyrimidine core enables efficient functionalization at C2, C4, and C6 positions, while the methoxy group enhances solubility and modulates electronic properties. The compound exhibits excellent bench stability and compatibility with standard cross-coupling reactions, facilitating rapid access to diverse substituted pyrimidines.
Synthesis
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Route1
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In-stock
4595-59-9 - ~87%
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In-stock
31458-33-0
References
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Wyeth Patent: US2006/173049 A1, 2006 ; Location in patent: Page/Page column 28 ; US 20060173049 A1
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References
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Pratt, Derek A.; Valgimigli, Luca; DiLabio, Gino A. Patent: US2002/143025 A1, 2002 ;
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Route3
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In-stock
4595-59-9
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67-56-1 - ~57%
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In-stock
31458-33-0
References
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Cheung, Chi Wai; Buchwald, Stephen L. Organic Letters, 2013 , vol. 15, # 15 p. 3998 - 4001
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS02,GHS07
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Signal Word : Danger
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UN#: 1325
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Class : 4.1
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Packing Group : Ⅲ
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Hazard Statements : H228-H302
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Precautionary Statements : P210-P240-P241-P280-P370+P378
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Quality Control
Computational Chemistry Data
- TPSA 35.01
- LogP 0.4852
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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