Lot numbers can be found on the outside label of a product:
4-(Hydroxymethyl)pyridin-2(1H)-one
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CAS No. 127838-58-8
- Cat. No. CS-0033712
- Purity≥95%
- MDL No.MFCD17015983
*For research and further manufacturing use only, not for direct human use.
Structure of 127838-58-8
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General Information
- CAS No. 127838-58-8
- Cat. No. CS-0033712
- Purity ≥95%
- MDL No. MFCD17015983
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₇NO₂
- Molecular Weight 125.13
- Synonym(s) 2(1H)-Pyridinone,4-(hydroxymethyl)-(9CI)
- SMILES O=C1C=C(CO)C=CN1
Description
4-(Hydroxymethyl)pyridin-2(1H)-one features a pyridinone core with a pendant hydroxymethyl group, enabling dual functionality in coordination chemistry and molecular scaffolding. This bench-stable heterocycle integrates readily into synthetic routes requiring both hydrogen-bonding capacity and electrophilic handle availability under standard conditions.
Application
4-(Hydroxymethyl)pyridin-2(1H)-one serves as a versatile building block in medicinal chemistry, enabling efficient functionalization at the pyridone core. Its hydroxymethyl group facilitates derivatization via oxidation, etherification, or coupling reactions, while the adjacent enolizable carbonyl supports metal coordination and hydrogen bonding. The compound exhibits good bench stability and solubility, simplifying purification and integration into multi-step syntheses of heterocyclic scaffolds and potential API intermediates.
Synthesis
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Route1
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In-stock
89937-77-9 - ~89%
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In-stock
127838-58-8
References
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GLAXO GROUP LIMITED Patent: WO2009/76387 A1, 2009 ; Location in patent: Page/Page column 30 ; WO 2009/076387 A1
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Route2
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7732-18-5 -
In-stock
89937-77-9
- ~%
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In-stock
127838-58-8
References
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US6093737 A1, ; US 6093737 A
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Route3
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In-stock
22282-72-0 - ~%
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In-stock
127838-58-8
References
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WO2013/192125 A1, ; Page/Page column 130 ;
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Safety Information
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GHS Pictogram :
N/A
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GHS No : N/A
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Signal Word : N/A
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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 : N/A
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Precautionary Statements : N/A
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Quality Control
Computational Chemistry Data
- TPSA 53.09
- LogP -0.1328
- H_Acceptors 2
- H_Donors 2
- Rotatable_Bonds 1
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Key Words
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