113053-50-2 | Methyl 1H-1,2,3-benzotriazole-5-carboxylate

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$25.00	$18.00
1g	98%	in stock	$30.00	$21.00
5g	98%	in stock	$97.00	$68.00
10g	98%	in stock	$191.00	$134.00
25g	98%	in stock	$302.00	$211.00
100g	98%	in stock	$1,069.00	$748.00

Description

• Catalog Number: AD61964
• Chemical Name: Methyl 1H-1,2,3-benzotriazole-5-carboxylate
• CAS Number: 113053-50-2
• Molecular Formula: C8H7N3O2
• Molecular Weight: 177.16007999999997
• MDL Number: MFCD00174276
• SMILES: COC(=O)c1ccc2c(c1)nn[nH]2

Computed Properties

• Complexity: 210
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 0.9

Upstream Synthesis Route

Methyl 1H-benzo[d][1,2,3]triazole-6-carboxylate serves as a versatile building block in chemical synthesis due to its unique structural properties and reactivity. As a key intermediate in organic chemistry, it plays a crucial role in the preparation of various pharmaceuticals, agrochemicals, and functional materials. With its aromatic ring system and functional group at the 6-position, this compound is particularly valuable for introducing diverse chemical functionalities into target molecules. By participating in a range of reactions such as esterification, amidation, and cycloaddition, Methyl 1H-benzo[d][1,2,3]triazole-6-carboxylate enables the efficient and controlled formation of complex molecular structures. Its strategic incorporation into synthetic pathways facilitates the development of novel chemical entities with improved biological activities or material properties, making it an indispensable tool for medicinal chemists and materials scientists alike.