611-01-8 | 2,4-Dimethylbenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
10g	97%	in stock	$15.00	$10.00
100g	97%	in stock	$90.00	$63.00
500g	97%	in stock	$248.00	$173.00

Description

• Catalog Number: AB60300
• Chemical Name: 2,4-Dimethylbenzoic acid
• CAS Number: 611-01-8
• Molecular Formula: C9H10O2
• Molecular Weight: 150.1745
• MDL Number: MFCD00002480
• SMILES: Cc1ccc(c(c1)C)C(=O)O
• NSC Number: 407532

Computed Properties

• Complexity: 154
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 2.8

Upstream Synthesis Route

2,4-Dimethylbenzoic acid is a versatile compound widely used in chemical synthesis due to its unique properties and reactivity. In organic chemistry, it serves as a key building block for the synthesis of various pharmaceuticals, agrochemicals, and advanced materials. By incorporating 2,4-Dimethylbenzoic acid into different reactions, chemists can access a wide range of substituted aromatic compounds with tailored properties.One common application of 2,4-Dimethylbenzoic acid is in the synthesis of complex molecules through the formation of C-C and C-O bonds. It can be used as a starting material or intermediate in the preparation of biologically active compounds such as non-steroidal anti-inflammatory drugs (NSAIDs), antioxidants, and fragrances. Additionally, its structural flexibility allows for the introduction of functional groups at specific positions, enabling fine-tuning of the chemical and physical properties of the final products.Furthermore, 2,4-Dimethylbenzoic acid can participate in transition metal-catalyzed reactions, enabling chemists to perform selective transformations with high efficiency. Its compatibility with various synthetic methodologies makes it a valuable tool in modern organic synthesis, facilitating the construction of complex molecular architectures in a controlled manner.Overall, the strategic use of 2,4-Dimethylbenzoic acid in chemical synthesis offers researchers a powerful means to access diverse and structurally complex compounds with potential applications in pharmaceuticals, materials science, and other chemical industries.

Literature

• Conformation of hydrogen-bonded dimeric o-methyl-substituted benzoic acids.

  Acta crystallographica. Section C, Crystal structure communications 20080401

• Identification by gas chromatography-mass spectrometry of the volatile organic compounds emitted from the wood-rotting fungi Serpula lacrymans and Coniophora puteana, and from Pinus sylvestris timber.

  Mycological research 20040701

• Toxicokinetics and metabolism of pseudocumene (1,2,4-trimethylbenzene) after inhalation exposure in rats.

  International journal of occupational medicine and environmental health 20020101