499-06-9 | 3,5-Dimethylbenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
100g	98%	in stock	$11.00	$8.00

Description

• Catalog Number: AB63989
• Chemical Name: 3,5-Dimethylbenzoic acid
• CAS Number: 499-06-9
• Molecular Formula: C9H10O2
• Molecular Weight: 150.1745
• MDL Number: MFCD00002525
• SMILES: OC(=O)c1cc(C)cc(c1)C
• NSC Number: 37562

Computed Properties

• Complexity: 144
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 2.2

Upstream Synthesis Route

3,5-Dimethylbenzoic acid, also known as m-Toluic acid, is a versatile organic compound commonly used in chemical synthesis. With its unique structure and properties, this compound is valued for its various applications in the laboratory and industrial settings.In chemical synthesis, 3,5-Dimethylbenzoic acid serves as a key building block for the preparation of numerous important organic compounds. It is often employed as a precursor in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. The carboxylic acid group of m-Toluic acid can participate in a range of reactions, including esterification, amidation, and halogenation, allowing for the creation of a diverse array of functionalized molecules.Additionally, 3,5-Dimethylbenzoic acid can be utilized as a starting material for the synthesis of various aromatic compounds through processes such as Friedel-Crafts acylation and nucleophilic aromatic substitution. Its presence in the chemical toolbox enables chemists to access specific structural motifs and functionalities that are crucial for the development of new materials and bioactive compounds.Overall, the application of 3,5-Dimethylbenzoic acid in chemical synthesis showcases its importance as a versatile building block with the potential to contribute to the advancement of numerous fields within the chemical industry.

Literature

• [rac-2-(1-Amino-eth-yl)phenyl-κC,N](ethyl-endiamine-κN,N')palladium(II) 3-methyl-benzoate monohydrate.

  Acta crystallographica. Section E, Structure reports online 20100801

• [rac-2-(1-Amino-eth-yl)phenyl-κC,N](ethyl-endiamine-κN,N')palladium(II) 3,5-dimethyl-benzoate.

  Acta crystallographica. Section E, Structure reports online 20100801

• Regulated ethylene insensitivity through the inducible expression of the Arabidopsis etr1-1 mutant ethylene receptor in tomato.

  Plant physiology 20100401

• 3-tert-Butyl-4-oxo-3,4-dihydro-phthalazin-1-yl 3,5-dimethyl-benzoate.

  Acta crystallographica. Section E, Structure reports online 20080101

• Toward a magnetostructural correlation for a family of Mn6 SMMs.

  Journal of the American Chemical Society 20071017