Lot numbers can be found on the outside label of a product:
2-Methylisonicotinic acid
-
CAS No. 4021-11-8
- Cat. No. CS-W008764
- Purity≥96%
- MDL No.MFCD00513435
*For research and further manufacturing use only, not for direct human use.
Structure of 4021-11-8
Please choose your location and provide accurate information for you
| Size |
|
Price | Quantity | |||
|---|---|---|---|---|---|---|
|
* Please select Quantity before adding items. |
||||||
Recommended Products
General Information
- CAS No. 4021-11-8
- Cat. No. CS-W008764
- Purity ≥96%
- MDL No. MFCD00513435
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₇NO₂
- Molecular Weight 137.14
- Synonym(s) 2-Methyl-4-pyridinecarboxylic Acid
- SMILES O=C(C1=CC(C)=NC=C1)O
Description
2-Methylisonicotinic acid features a pyridine ring bearing a methyl group at the 2-position and a carboxylic acid at the 4-position, creating a sterically hindered, electron-deficient heterocycle. This configuration enhances its utility in pharmaceutical synthesis and as a ligand in coordination chemistry due to robust stability under standard conditions.
Application
2-Methylisonicotinic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of pyridine-based pharmacophores. Its ortho-methyl substituent enhances metabolic stability and modulates electronic properties, while the carboxylic acid group facilitates straightforward derivatization via amide, ester, or acyl chloride formation. The compound exhibits excellent bench stability and is compatible with standard coupling protocols, making it well-suited for high-throughput library generation and process-scale applications.
Synthesis
-
Route1
-
In-stock
25462-85-5 - ~64%
-
In-stock
4021-11-8
References
-
ASTRA ZENECA AB; NPS PHARMACEUTICALS, INC. Patent: WO2004/14881 A2, 2004 ; Location in patent: Page 99 ; WO 2004/014881 A2
-
-
Route2
-
108-47-4 - ~29%
-
In-stock
4021-11-8
References
-
Bou, German; Santillana, Elena; Sheri, Anjaneyulu; Beceiro, Alejandro; Sampson, Jared M.; Kalp, Matthew; Bethel, Christopher R.; Distler, Anne M.; Drawz, Sarah M.; Pagadala, Sundar Ram Reddy; Van Den Akker, Focco; Bonomo, Robert A.; Romero, Antonio; Buynak, John D. Journal of the American Chemical Society, 2010 , vol. 132, # 38 p. 13320 - 13331
-
-
Route3
-
1311285-30-9
- ~%
-
In-stock
4021-11-8
References
-
EP2343287 A1, ; Page/Page column 18 ; EP 2343287 A1
-
Safety Information
Download SDS|
GHS Pictogram :
|
GHS No : GHS07
|
|
Signal Word : Warning
|
UN#: N/A
|
|
Class : N/A
|
Packing Group : N/A
|
|
Hazard Statements : H315-H319-H335
|
|
|
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
|
|
Quality Control
Computational Chemistry Data
- TPSA 50.19
- LogP 1.08822
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 1
Similar Products
Other Classifications
Recently Viewed Products
Leave US a Message
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Upload Pictures
|
|
Key Words
- 2-Methylisonicotinic acid sigma2-Methylisonicotinic acid manufacturer2-Methylisonicotinic acid price2-Methylisonicotinic acid structure2-Methylisonicotinic acid SDSbuy 2-Methylisonicotinic acid2-Methylisonicotinic acid supplier2-Methylisonicotinic acid uses2-Methylisonicotinic acid molecular weightprice of 2-Methylisonicotinic acid2-Methylisonicotinic acid chemical name formula of 2-Methylisonicotinic acid