Tel:

Email:

EN
Cat. No. Size / Unit Price Qty
CS-W001157 4
Total: USD 88.00

2-Methylsulfanylpyrimidine-4-carboxylic acid

  • CAS No. 1126-44-9

  • Cat. No. CS-W003659
  • Purity≥97%
  • MDL No.MFCD09834808

*For research and further manufacturing use only, not for direct human use.

2-Methylsulfanylpyrimidine-4-carboxylic acid|CS-W003659

Structure of 1126-44-9

Please choose your location and provide accurate information for you
Size Stock
Price Quantity

* Please select Quantity before adding items.

General Information

  • CAS No. 1126-44-9
  • Cat. No. CS-W003659
  • Purity ≥97%
  • MDL No. MFCD09834808
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆N₂O₂S
  • Molecular Weight 170.19
  • Synonym(s) 2-(Methylsulfanyl)-4-pyrimidinecarboxylic acid
  • SMILES CSc1nccc(n1)C(=O)O

Description

2-Methylsulfanylpyrimidine-4-carboxylic acid features a pyrimidine core functionalized with a methylthio group at the 2-position and a carboxylic acid at the 4-position, delivering enhanced solubility and reactivity in synthetic transformations. This scaffold integrates readily into bioactive molecule design, particularly in kinase inhibitor development and medicinal chemistry lead optimization.

Application

2-Methylsulfanylpyrimidine-4-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrimidine-based scaffolds through standard coupling and functionalization reactions. Its dual functionality—carboxylic acid for amide/ester formation and thiomethyl group for cross-coupling or oxidation—supports diverse derivatization pathways. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis campaigns in API development.

Synthesis

  • Route1

    References

    • Kim, Chong-Ho; Marquez, Victor E.; Mao, David T.; Haines, David R.; McCormack, John J. Journal of Medicinal Chemistry, 1986 , vol. 29, # 8 p. 1374 - 1380
  • Route2

    References

    • Clark, Michael P.; Laughlin, Steven K.; Laufersweiler, Matthew J.; Bookland, Roger G.; Brugel, Todd A.; Golebiowski, Adam; Sabat, Mark P.; Townes, Jennifer A.; VanRens, John C.; Djung, Jane F.; Natchus, Michael G.; De, Biswanath; Hsieh, Lily C.; Xu, Susan C.; Walter, Rick L.; Mekel, Marlene J.; Heitmeyer, Sandra A.; Brown, Kimberly K.; Juergens, Karen; Taiwo, Yetunde O.; Janusz, Michael J. Journal of Medicinal Chemistry, 2004 , vol. 47, # 11 p. 2724 - 2727

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

To search for quality control of cas , please enter both the product number and the lot/batch number.

Computational Chemistry Data

  • TPSA   63.08
  • LogP   0.8967
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

Other Classifications

Recently Viewed Products

Leave US a Message
Upload Pictures

Key Words

  • 1126-44-9 sigma1126-44-9 manufacturer1126-44-9 price1126-44-9 structure1126-44-9 SDSbuy 1126-44-91126-44-9 supplier1126-44-9 uses1126-44-9 molecular weightprice of 1126-44-91126-44-9 chemical name formula of 1126-44-9
This product is not sold in the region.
Confirm
How to get a Lot Number

Lot numbers can be found on the outside label of a product:

ChemScene Label