1975-50-4 | 2-Methyl-3-nitrobenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$15.00	$10.00
5g	98%	in stock	$16.00	$11.00
25g	98%	in stock	$17.00	$12.00
100g	98%	in stock	$65.00	$46.00
250g	98%	in stock	$142.00	$99.00
500g	98%	in stock	$231.00	$162.00
5kg	98%	in stock	$2,047.00	$1,433.00

Description

• Catalog Number: AB07173
• Chemical Name: 2-Methyl-3-nitrobenzoic acid
• CAS Number: 1975-50-4
• Molecular Formula: C8H7NO4
• Molecular Weight: 181.1455
• MDL Number: MFCD00007160
• SMILES: OC(=O)c1cccc(c1C)[N+](=O)[O-]

Computed Properties

• Complexity: 223
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 1.6

Upstream Synthesis Route

2-Methyl-3-nitrobenzoic acid is a versatile compound used in various chemical synthesis applications due to its unique properties. This compound serves as a crucial building block in the creation of pharmaceuticals, agrochemicals, and fine chemicals. In organic synthesis, 2-Methyl-3-nitrobenzoic acid can undergo various reactions such as nitration, reduction, and esterification to yield a wide range of derivatives with diverse functionalities. Its nitro group can be selectively reduced to an amino group, enabling the synthesis of important intermediates for pharmaceutical compounds. Furthermore, the methyl substituent provides steric hindrance, influencing the reactivity and selectivity of the compound in different synthetic pathways.The presence of both the nitro and carboxylic acid functional groups in 2-Methyl-3-nitrobenzoic acid allows for efficient manipulation of its chemical structure, making it a valuable precursor in the preparation of complex organic molecules. Additionally, the potential use of this compound as a starting material for the synthesis of biologically active compounds highlights its significance in drug development and medicinal chemistry. Its role in the construction of aromatic systems and heterocyclic compounds further illustrates the versatility of 2-Methyl-3-nitrobenzoic acid as a key component in chemical synthesis processes.

Literature

• (Methanol-κO)(2-methyl-3-nitro-benzoato-κO)triphenyl-tin(IV).

  Acta crystallographica. Section E, Structure reports online 20100901

• Microsphere-based protease assays and screening application for lethal factor and factor Xa.

  Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

• [Determination of 2-methyl-3-nitrobenzoic acid through pretreatment with diazomethane by gas chromatography].

  Se pu = Chinese journal of chromatography 20020901