100784-20-1 | 1H-Pyrazole-4-carboxylic acid, 3-chloro-5-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-1-methyl-, methyl ester

Packsize	Purity	Availability	Price	Discounted Price
25mg	98%	in stock	$33.00	$23.00
1g	98%	in stock	$36.00	$25.00
5g	98%	in stock	$87.00	$61.00

Description

• Catalog Number: AA03509
• Chemical Name: 1H-Pyrazole-4-carboxylic acid, 3-chloro-5-[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-1-methyl-, methyl ester
• CAS Number: 100784-20-1
• Molecular Formula: C13H15ClN6O7S
• Molecular Weight: 434.8122
• MDL Number: MFCD07369918
• SMILES: COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl

Computed Properties

• Complexity: 665
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 28
• Hydrogen Bond Acceptor Count: 10
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 7
• XLogP3: 1.3

Upstream Synthesis Route

In chemical synthesis, Methyl 3-chloro-5-(N-((4,6-dimethoxypyrimidin-2-yl)carbamoyl)sulfamoyl)-1-methyl-1H-pyrazole-4-carboxylate serves as a versatile building block for the creation of complex pharmaceuticals and agrochemicals. Its strategic placement of functional groups allows for precise modification, enabling the synthesis of novel compounds with potential biological activities. This compound's unique structure offers opportunities for diversification through various chemical transformations, making it a valuable tool in the development of new molecules with desired properties.

Literature

• Electro-oxidation of herbicide halosulfuron methyl on glassy carbon electrode and applications.

  Talanta 20101015

• Transformation kinetics and mechanism of the sulfonylurea herbicides pyrazosulfuron ethyl and halosulfuron methyl in aqueous solutions.

  Journal of agricultural and food chemistry 20080827