Lot numbers can be found on the outside label of a product:
Methyl 2-formylisonicotinate
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CAS No. 125104-34-9
- Cat. No. CS-W006156
- Purity≥97%
- MDL No.MFCD14582033
*For research and further manufacturing use only, not for direct human use.
Structure of 125104-34-9
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General Information
- CAS No. 125104-34-9
- Cat. No. CS-W006156
- Purity ≥97%
- MDL No. MFCD14582033
- Storage -20°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₇NO₃
- Molecular Weight None
- Synonym(s) 4-Pyridinecarboxylic acid, 2-formyl-, methyl ester
- SMILES O=C(C1=CC(C=O)=NC=C1)OC
Description
Methyl 2-formylisonicotinate is a heterocyclic aldehyde featuring a pyridine ring with strategically positioned formyl and ester groups. This bifunctional scaffold enables direct incorporation into complex molecular architectures, serving as a key intermediate in the synthesis of bioactive compounds and functional materials.
Application
Methyl 2-formylisonicotinate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted pyridine derivatives. The ortho-aldehyde and ester functionalities provide complementary reactivity for sequential transformations, including nucleophilic additions, condensations, and cyclizations. Its bench-stable nature and compatibility with standard reaction conditions facilitate reliable use in medicinal chemistry and process development workflows.
Synthesis
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Route1
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In-stock
58481-17-7 - ~86%
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In-stock
125104-34-9
References
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ASTRAZENECA AB; CHENG, Leifeng; SCHELL, Peter Patent: WO2012/47156 A1, 2012 ; Location in patent: Page/Page column 12-13 ;
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Route2
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25658-36-0 - ~%
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In-stock
125104-34-9
References
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Luo, Guanglin; Chen, Ling; Civiello, Rita; Pin, Sokhom S.; Xu, Cen; Kostich, Walter; Kelley, Michelle; Conway, Charles M.; MacOr, John E.; Dubowchik, Gene M. Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 8 p. 2917 - 2921
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Route3
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2459-09-8 - ~%
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In-stock
125104-34-9
References
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ASTRAZENECA AB; CHENG, Leifeng; SCHELL, Peter Patent: WO2012/47156 A1, 2012 ;
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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 : H315-H319
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Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364
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Quality Control
Computational Chemistry Data
- TPSA 56.26
- LogP 0.6807
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 2
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