100047-52-7 | 5-Methyl-1h-pyrrole-3-carboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
100mg	98%	in stock	$45.00	$32.00
250mg	98%	in stock	$56.00	$40.00
1g	98%	in stock	$134.00	$94.00
5g	98%	in stock	$496.00	$348.00
10g	98%	in stock	$992.00	$695.00

Description

• Catalog Number: AA00645
• Chemical Name: 5-Methyl-1h-pyrrole-3-carboxylic acid
• CAS Number: 100047-52-7
• Molecular Formula: C6H7NO2
• Molecular Weight: 125.1253
• MDL Number: MFCD09991919
• SMILES: OC(=O)c1c[nH]c(c1)C

Computed Properties

• Complexity: 124
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 1
• XLogP3: 1.6

Upstream Synthesis Route

5-Methyl-1H-pyrrole-3-carboxylic acid is a versatile compound that finds wide application in chemical synthesis. It serves as a crucial building block in the creation of various pharmaceuticals, agrochemicals, and materials due to its structural properties and reactivity.In organic synthesis, 5-Methyl-1H-pyrrole-3-carboxylic acid can be utilized as a precursor in the synthesis of heterocyclic compounds, which are essential in drug discovery and development. Its unique structure containing a pyrrole ring makes it a valuable starting material for the production of biologically active compounds.Additionally, this compound can participate in various chemical reactions like acylation, alkylation, and condensation reactions to introduce functional groups or modify its structure. Through these synthetic pathways, 5-Methyl-1H-pyrrole-3-carboxylic acid enables the creation of new molecules with diverse properties and applications.Overall, the versatility and reactivity of 5-Methyl-1H-pyrrole-3-carboxylic acid make it a valuable tool in chemical synthesis for the production of complex organic compounds with potential applications in pharmaceuticals, agriculture, and materials science.

Literature

• Agonist lead identification for the high affinity niacin receptor GPR109a.

  Bioorganic & medicinal chemistry letters 20070901