Lot numbers can be found on the outside label of a product:
2-Methylisonicotinaldehyde
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CAS No. 63875-01-4
- Cat. No. CS-W003287
- Purity≥97%
- MDL No.MFCD06410683
*For research and further manufacturing use only, not for direct human use.
Structure of 63875-01-4
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General Information
- CAS No. 63875-01-4
- Cat. No. CS-W003287
- Purity ≥97%
- MDL No. MFCD06410683
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₇NO
- Molecular Weight 121.14
- Synonym(s) 4-pyridinecarboxaldehyde, 2-methyl-
- SMILES O=Cc1ccnc(c1)C
Description
2-Methylisonicotinaldehyde is a bench-stable, moisture-tolerant heterocyclic aldehyde featuring a methyl group at the 2-position of the pyridine ring. This electronic configuration enhances reactivity in nucleophilic addition and condensation processes. The compound serves as a key building block in pharmaceutical synthesis, particularly for bioactive molecules requiring nitrogen-containing scaffolds. Its solubility in common organic solvents streamlines handling in reaction workflows.
Application
2-Methylisonicotinaldehyde serves as a versatile building block in medicinal chemistry and process development, enabling efficient construction of pyridine-based scaffolds. Its aldehyde functionality facilitates nucleophilic additions, reductive aminations, and condensation reactions under standard conditions. The ortho-methyl group enhances electronic modulation and metabolic stability in target molecules, while the compound exhibits good bench stability and ease of purification—ideal for high-throughput synthesis and API intermediate preparation.
Synthesis
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Route1
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444649-52-9 - ~78%
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In-stock
63875-01-4
References
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Takeda Chemical Industries, Ltd. Patent: EP1424336 A1, 2004 ; Location in patent: Page 247 ;
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Route2
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In-stock
105250-16-6 - ~20%
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In-stock
63875-01-4
References
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PLEXXIKON, INC.; WU, Guoxian; IBRAHIM, Prabha N.; ZHOU, Yong; MAMO, Shumeye; GILLETTE, Samuel J.; ZHU, Yong-Liang; LIU, Jinyu; ZHANG, Chao; ZHANG, Kam; ARTIS, Dean R. Patent: WO2010/129467 A1, 2010 ; Location in patent: Page/Page column 64 ; WO 2010/129467 A1
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Route3
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In-stock
2214-53-1 - ~85%
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In-stock
63875-01-4
References
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SMITHKLINE BEECHAM CORPORATION Patent: EP1229035 A1, 2002 ; Location in patent: Page 23 ; Title/Abstract Full Text Show Details SMITHKLINE BEECHAM CORPORATION Patent: EP1227091 A2, 2002 ; Location in patent: Page 23 ;
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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 29.96
- LogP 1.20252
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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