2,3-Dimethylbenzoic acid

white to light yellow crystal powder

2,3-dimethylbenzoic acid is a dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 3. It derives from a benzoic acid. It is a conjugate acid of a 2,3-dimethylbenzoate.

Under an argon atmosphere, 40 mL of dry ortho-xylene was quickly added to a 250 mL PTFE-lined autoclave.2.5 g of anhydrous AlCl3, 1.16 g of dry N-butylimidazole, the reaction vessel was sealed after the addition was complete. Then connect the CO2 cylinder to the autoclave through the pipe, open the valve to control the CO2 pressure to 6MPa, At the same time stirring was turned on, the stirring rate was 1000 rpm, and finally heating was started and 48 hours at 40°C. After the reaction was completed, 150 mL of water was added to the reaction system, and the mixture was reacted for 30 min while stirring. After that, it was extracted 3 times with 50 mL of ether. The combined extracts were concentrated and dried to give 2.76 g of an off-white solid.The off-white solid was 2, 3-dimethylbenzoic acid. The above-mentioned off-white solid was dissolved in 20 mL of a 10percent wt sodium hydroxide solution, insolubles were filtered off, and a filtrate was obtained. Then, the filtrate was adjusted to pH 1 with 1 mol/L HCl and allowed to stand at room temperature for 60 min. Then it was transferred to -10°C and further crystallized and filtered to obtain crystals. The crystals were dried to give 2.29 g of 2, 3-dimethylbenzoic acid as a white solid.The yield of 2, 3-dimethylbenzoic acid was 81.3percent.

Molecular Weight:150.17
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:150.068079557
Monoisotopic Mass:150.068079557
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:154
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes