3-CHLORO-5-METHYL-BENZOIC ACID

First, 15 g of toluene, 50 mL of dichloromethane was added successively to a 200 mL autoclave, 0.1 g of N-hydroxyphthalimide and 0.4 g of cobalt acetylacetonate were dissolved and stirred, Sealed autoclave, replaced with oxygen 3 times, pressurized to 3MPa, The temperature was raised to 30 C and the reaction was allowed to proceed for 1 h. After completion of the reaction, the mixture was cooled to room temperature, Filtering to obtain a solution containing benzoic acid;The above solution was placed in a 1000 mL four-necked flask equipped with a thermometer, And then to the flask by adding 100mL glacial acetic acid, stirring, access to nitrogen protection, The temperature was raised to 40 C, and then 30 mL of chlorine gas was introduced at a rate of 10 mL / min, Oil bath control solution temperature at 30 , reaction 3h, To obtain a solution containing 3, 5-dichlorobenzoic acid;To the above solution was added 3 g of a shielding reagent, stirred for 5 min, Then add 10gFormat reagent, For 1 h to give a solution containing First, 15 g of toluene, 50 mL of dichloromethane was added successively to a 200 mL autoclave, 0.1 g of N-hydroxyphthalimide and 0.4 g of cobalt acetylacetonate were dissolved and stirred, Sealed autoclave, replaced with oxygen 3 times, pressurized to 3MPa, The temperature was raised to 30 C and the reaction was allowed to proceed for 1 h. After completion of the reaction, the mixture was cooled to room temperature, Filtering to obtain a solution containing benzoic acid;The above solution was placed in a 1000 mL four-necked flask equipped with a thermometer, And then to the flask by adding 100mL glacial acetic acid, stirring, access to nitrogen protection, The temperature was raised to 40 C, and then 30 mL of chlorine gas was introduced at a rate of 10 mL / min, Oil bath control solution temperature at 30 , reaction 3h, To obtain a solution containing 3, 5-dichlorobenzoic acid;To the above solution was added 3 g of a shielding reagent, stirred for 5 min, Then add 10gFormat reagent, For 1 h to give a solution containing

Molecular Weight:170.59
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:170.0134572
Monoisotopic Mass:170.0134572
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes