Lot numbers can be found on the outside label of a product:
Methyl 5-(hydroxymethyl)nicotinate
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CAS No. 129747-52-0
- Cat. No. CS-W019713
- Purity≥97%
- MDL No.MFCD11848097
*For research and further manufacturing use only, not for direct human use.
Structure of 129747-52-0
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General Information
- CAS No. 129747-52-0
- Cat. No. CS-W019713
- Purity ≥97%
- MDL No. MFCD11848097
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₉NO₃
- Molecular Weight 167.16
- Synonym(s) 5-Hydroxymethyl-nicotinic acid methyl ester
- SMILES O=C(C1=CC(CO)=CN=C1)OC
Description
Methyl 5-(hydroxymethyl)nicotinate features a pyridine ring bearing a methyl ester and a pendant hydroxymethyl group, enabling direct functionalization at the C5 position. This bench-stable, moisture-tolerant reagent integrates readily into synthetic sequences requiring polar, electron-deficient heterocycles. The hydroxymethyl moiety serves as a versatile handle for derivatization via oxidation, protection, or coupling reactions.
Application
Methyl 5-(hydroxymethyl)nicotinate serves as a versatile building block for pyridine-based heterocycles and bioactive molecules. The pendant hydroxymethyl group enables selective oxidation to carboxylic acid, reductive functionalization, or ether formation, while the ester moiety supports cross-coupling reactions and nucleophilic substitutions. Its bench-stable nature and compatibility with standard synthetic protocols facilitate efficient access to pharmaceutical intermediates and agrochemical scaffolds.
Synthesis
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Route1
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25761-06-2 - ~%
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In-stock
129747-52-0
References
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US2006/19965 A1, ; Page/Page column 25-26 ; US 20060019965 A1
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Route2
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1268245-99-3
- ~%
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In-stock
129747-52-0
References
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WO2011/20615 A1, ; Page/Page column 69; 72 ;
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Route3
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179072-13-0
- ~88%
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In-stock
129747-52-0
References
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Van Hemel, Johan; Esmans, Eddy L.; De Groot, Alex; Dommisse, Roger A.; Balzarini, Jan M.; De Clercq, Erik D. Nucleosides and Nucleotides, 1996 , vol. 15, # 6 p. 1203 - 1221
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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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 59.42
- LogP 0.3605
- H_Acceptors 4
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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