104291-83-0 | Methyl 6-cyano-1h-indole-2-carboxylate

Packsize	Purity	Availability	Price	Discounted Price
100mg	97%	in stock	$12.00	$9.00
250mg	97%	in stock	$28.00	$19.00
1g	97%	in stock	$46.00	$33.00

Description

• Catalog Number: AE08973
• Chemical Name: Methyl 6-cyano-1h-indole-2-carboxylate
• CAS Number: 104291-83-0
• Molecular Formula: C11H8N2O2
• Molecular Weight: 200.1934
• MDL Number: MFCD07375393
• SMILES: COC(=O)c1cc2c([nH]1)cc(cc2)C#N

Computed Properties

• Complexity: 307
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 2.2

Upstream Synthesis Route

Methyl 6-cyano-1H-indole-2-carboxylate is a versatile compound that finds key applications in chemical synthesis processes. This compound serves as a valuable building block in the creation of various indole derivatives, which are important in the development of pharmaceuticals, agrochemicals, and materials science. Its cyano group provides a reactive site for further functionalization, allowing for the introduction of different substituents to tailor the properties of the final product. In particular, the presence of the ester and indole moieties in this compound offers opportunities for diverse transformations, such as cross-coupling reactions, cyclizations, and rearrangements, enabling the synthesis of complex molecular structures with potential biological or industrial significance. Whether used as a precursor for drug discovery or in the preparation of advanced materials, Methyl 6-cyano-1H-indole-2-carboxylate plays a crucial role in the creation of novel compounds with a wide range of applications.