104-98-3 | Urocanic acid

Packsize	Purity	Availability	Price	Discounted Price
1mg	95%	in stock	$8.00	$5.00
250mg	95%	in stock	$12.00	$8.00
1g	95%	in stock	$15.00	$11.00
5g	95%	in stock	$50.00	$35.00
25g	95%	in stock	$223.00	$156.00

Description

• Catalog Number: AB63071
• Chemical Name: Urocanic acid
• CAS Number: 104-98-3
• Molecular Formula: C6H6N2O2
• Molecular Weight: 138.124
• MDL Number: MFCD00149316
• SMILES: OC(=O)C=Cc1c[nH]cn1

Computed Properties

• Complexity: 156
• Covalently-Bonded Unit Count: 1
• Defined Bond Stereocenter Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 2

Upstream Synthesis Route

3-(1H-Imidazol-4-yl)acrylic acid is a versatile compound that finds practical application in chemical synthesis. Its unique structure containing an imidazole ring combined with an acrylic acid moiety lends itself to a variety of synthetic pathways. In chemical synthesis, 3-(1H-Imidazol-4-yl)acrylic acid can be used as a key building block for the preparation of heterocyclic compounds. The presence of the imidazole ring provides a nitrogen-containing functional group that can participate in various reactions, such as nucleophilic substitutions and metal-catalyzed cross-coupling reactions. Additionally, the acrylic acid portion offers opportunities for further functionalization through chemical modification, enabling the synthesis of more complex molecules.This compound's ability to serve as a versatile intermediate in the synthesis of biologically active compounds, pharmaceuticals, and agrochemicals makes it a valuable tool for organic chemists. Whether utilized in the development of new drug candidates or the production of specialty chemicals, 3-(1H-Imidazol-4-yl)acrylic acid plays a crucial role in expanding the possibilities of chemical synthesis.