107757-06-2 | 3-Methyl-5-nitrobenzaldehyde

Packsize	Purity	Availability	Price	Discounted Price
100mg	98%	in stock	$46.00	$32.00
250mg	98%	in stock	$64.00	$45.00
1g	98%	in stock	$148.00	$103.00
5g	98%	in stock	$469.00	$329.00
25g	98%	in stock	$1,754.00	$1,228.00

Description

• Catalog Number: AE24882
• Chemical Name: 3-Methyl-5-nitrobenzaldehyde
• CAS Number: 107757-06-2
• Molecular Formula: C8H7NO3
• Molecular Weight: 165.1461
• MDL Number: MFCD18399644
• SMILES: O=Cc1cc(C)cc(c1)[N+](=O)[O-]

Computed Properties

• Complexity: 187
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• XLogP3: 1.6

Upstream Synthesis Route

3-Methyl-5-nitrobenzaldehyde is a versatile compound widely used in chemical synthesis for its diverse applications. 1. Oxidation reactions: 3-Methyl-5-nitrobenzaldehyde can act as a precursor in the synthesis of various aromatic compounds through oxidation reactions. By utilizing its aldehyde group, it can undergo further transformations to produce valuable intermediates for pharmaceuticals, agrochemicals, and materials science.2. Nitroalkene synthesis: The nitro group in 3-Methyl-5-nitrobenzaldehyde can undergo various reactions to form nitroalkenes, which are important building blocks in organic synthesis. Nitroalkenes are utilized in the preparation of fine chemicals and pharmaceuticals due to their versatile reactivity and functional group compatibility.3. Heterocycle formation: 3-Methyl-5-nitrobenzaldehyde can participate in the synthesis of heterocyclic compounds by reacting with different nucleophiles or dienophiles. These heterocycles are key structural motifs found in many biologically active molecules and natural products, making this compound valuable in drug discovery and development.In summary, 3-Methyl-5-nitrobenzaldehyde plays a crucial role in chemical synthesis by serving as a key building block for the preparation of various organic compounds with diverse applications in the fields of medicine, agriculture, and materials science.