Isocarbophos

Isocarbophos is an organothiophosphate insecticide, an organic phosphonate, a phosphonic ester, a member of salicylates and an isopropyl ester. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an agrochemical and an avicide. It derives from an isopropyl salicylate.

Preparation of O-methyl thiophosphoryl dichloride slowly drop methanol into phosphorous trichloride, control the temperature at -5°C, add the time 1.5～2h, keep the reaction for 40min, wash off the HCl with cold water, and let stand O-methyl thiophosphoryl dichloride is obtained from the layer, the content is ≥96%, and the yield is ≥96%. The wastewater layer recovers methanol. Preparation of isopropyl salicylate: Salicylic acid reacts with thionyl chloride to obtain salicylic chloride, which is then esterified with isopropanol. The process is as follows: the ratio of salicylic acid to thionyl chloride is 1:1.2 (mol), toluene is used as solvent, dimethylformamide is used as catalyst, thionyl chloride is put in at 35～45℃, and then at 50 Reaction at ～70℃ for 2～3h to obtain salicylic chloride. Then, the proportion of salicylic acid and isopropanol is 1:1.4 (mol), and the reaction is carried out at 50-75℃ for 1.5-4h. After washing and desolventizing, isopropyl salicylate is obtained, with a content of 95%-98%. The yield is 90% to 95%. It is also possible to directly synthesize isopropyl salicylate with salicylic acid and isopropanol. Isopropanol is excessive, and the reaction temperature is 95-100°C and 110-118°C and refluxed for 10h and 8h respectively. The catalyst used is sulfuric acid or a catalyst composed of 5 mixed acids such as sulfuric acid, acetic acid and phosphoric acid. It is reported that 5 kinds of mixed acid catalysts are used, the product content is ≥ 90%, and the yield is about 90%. The synthesis of hydrocarbophos first reacts O-methyl thiophosphoryl dichloride with isopropyl salicylate, using toluene (or dichloroethane) as the solvent, liquid alkali as the acid binding agent, and the reaction temperature ( 20±2)℃, drip liquid caustic soda and heat preservation reaction for 1.5～2h, pH value is controlled at 11, the catalyst used is Nongru 600 (or Nongru 0208), tributylamine, tetrabutylammonium bromide, etc., synthesis O-methyl-O-(2-isopropyl formate phenyl) thiophosphoryl chloride (abbreviated as methyl monochloride). Then add 20% ammonia water dropwise at 20～30℃ for 1.5～2h. After the addition is complete, react at 35～40℃ for 1.5～2h, pH value 8～9, get hydrocarbophos crude oil, content 70%～75% , The yield is nearly 100% (based on methyl chloride).

Calibration instruments and devices; evaluation methods; working standards; quality assurance/quality control; others.

Molecular Weight:289.29
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:289.05376616
Monoisotopic Mass:289.05376616
Topological Polar Surface Area:103
Heavy Atom Count:18
Complexity:337
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes