63875-01-4 | 2-Methylisonicotinaldehyde

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$32.00	$23.00
5g	98%	in stock	$132.00	$93.00

Description

• Catalog Number: AB48727
• Chemical Name: 2-Methylisonicotinaldehyde
• CAS Number: 63875-01-4
• Molecular Formula: C7H7NO
• Molecular Weight: 121.1366
• MDL Number: MFCD06410683
• SMILES: O=Cc1ccnc(c1)C

Computed Properties

• Complexity: 103
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• XLogP3: 0.6

Upstream Synthesis Route

The upstream synthesis route of 2-Methylisonicotinaldehyde primarily involves the following steps:

1. Starting from a simple precursor, **Methyl pyridine (nicotinamide)**, which serves as the base structure for further functionalization.
2. Perform a bromination reaction at the methyl group, converting **methylpyridine** to **2-Bromomethylpyridine**.
3. Next, introduce a formyl group at the position adjacent to the methyl group — the 2-position of the pyridine ring — via a Vilsmeier-Haack formylation reaction, using **DMF (N,N-Dimethylformamide)** and **POCl3 (Phosphorus Oxychloride)**, to yield **2-Methylisonicotinaldehyde**.

This synthesis route is commonly employed in organic chemistry for the targeted functional group transformation suitable for synthesis of aldehydes from pyridine derivatives.