CAFENSTROLE
CAFENSTROLE
CAS: 125306-83-4
Molecular Formula: C16H22N4O3S
CAFENSTROLE - Names and Identifiers
| Name | CAFENSTROLE |
| Synonyms | ch-900 Himeadow Grachitor CAFENSTROLE CAFENSTROLE STANDARD cafenstrole (pa iso) N,N-diethyl-3-mesitylsulfonyl-1H-1,2,4-triazol-1-carboxamide N,N-diethyl-3-mesitylsulfonyl-1H-1,2,4-triazole-1-carboxamide N,N-DIETHYL-3-(2,4,6-TRIMETHYLPHENYLSULFONYL)-1H-1,2,4-TRIAZOLE-1-CARBOXAMIDE N,N-diethyl-3-((2,4,6-trimethylphenyl)sulfonyl)-1H-1,2,4-trizole-1-carboxamide N,N-diethyl-3-[(2,4,6-trimethylphenyl)sulfonyl]-1H-1,2,4-triazole-1-carboxamide N,N-diethyl-3-[(2,4,6-triMethylbenzene)sulfonyl]-1H-1,2,4-triazole-1-carboxaMide |
| CAS | 125306-83-4 |
| EINECS | 200-528-9 |
| InChI | InChI=1/C16H22N4O3S/c1-6-19(7-2)16(21)20-10-17-15(18-20)24(22,23)14-12(4)8-11(3)9-13(14)5/h8-10H,6-7H2,1-5H3 |
CAFENSTROLE - Physico-chemical Properties
| Molecular Formula | C16H22N4O3S |
| Molar Mass | 350.44 |
| Density | 1.26 |
| Melting Point | 115℃ |
| Boling Point | 525.4±60.0 °C(Predicted) |
| Flash Point | 271.5°C |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Vapor Presure | 3.95E-11mmHg at 25°C |
| Appearance | Solid |
| Color | White to Off-White |
| pKa | -1.73±0.70(Predicted) |
| Storage Condition | 0-6°C |
| Refractive Index | 1.599 |
| Physical and Chemical Properties | Storage Conditions: 0-6 ℃ |
CAFENSTROLE - Reference Information
| toxicity | acute oral LD50>5000mg/kg in rats, acute percutaneous LD50>2000mg/kg in rats, inhalation of LC501.97 g/L in rats, Ames test negative, no mutagenicity. Wild duck LD50>200mg/kg, carp LC50>1.2mg/L (48h), Daphnia LC50>500mg/kg(3h). |
| use | triazole herbicides. Bendonazole has the following characteristics: ① it has excellent effect on barnyard grass and has high selectivity to rice at a dose of 200~300g/hm2; (2) it is effective for weeds from pre-bud to three-leaf stage; (3) the effective period is as long as 40d; (4) it can control other perennial and annual weeds at the same time; ⑤ It can be used alone or mixed with other grass-making agents. At the dose of 10g active ingredient/hm2, it has high activity on barnyard grass and heterotypic sedge, and has no pesticide damage to transplanted rice. The dose of 500~100g active ingredient/hm2 can effectively control the grass, firefly and annual broadleaf weeds. The dose of 300g active ingredient/hm2 can effectively control barnyard grass and heterogeneous sedge from pre-bud to 2.5 leaf stage, but has no phytotoxicity to transplanted rice. |
| production method | preparation of triazole thiol potassium salt equimolar formamide is slowly added to the tetrahydrofuran suspension of thiosemicarbazide, a small amount of catalyst is added, the temperature is raised to reflux, the reaction is stirred for 1h, cooled to room temperature, a small amount of water is added, white precipitate is precipitated, and the solid is transferred to another reaction bottle, add water and appropriate amount of KOH (exothermic). Cool to below 5 ℃, can be directly used for step synthesis. Preparation of 3-(2,4, 6-trimethylphenylthio)-1,2, 4-triazole Mixing water, 2,4, 6-trimethylaniline and an appropriate amount of concentrated hydrochloric acid, cooling to below 0 ℃, adding NaNO2 aqueous solution, adding and stirring for 30min, adding the diazonium salt solution to the 1,2, 4-triazole thiol potassium salt solution below 5 ℃, stir for 1h, raise the temperature to room temperature, stop the reaction, add water, and filter to obtain red and yellow flocs with 70% yield. The resulting compound can be directly used in the next reaction. M. p.188 ℃ (literature value 186~187 ℃). Preparation of 3-(2,4, 5-trimethylphenylsulfonyl)-1,2, 4-triazole 3-(2,4, 6-trimethylphenylthio)-1,2, 4-triazole and a certain amount of acetic acid mixture were heated to 120 ℃, and H2O2 solution was added. Stir at 120 ℃ for 6 hours. Cool to room temperature, precipitate white crystals, filter to obtain the finished product, m.p.229 ℃ (literature value 229~230 ℃), the yield is 77%. Synthesis of benzozonazole After mixing the tetrahydrofuran solution of 3-(2,4, 6-trimethylphenylsulfonyl)-1,2, 4-triazole and diethylcarbamoyl chloride, add a small amount of anhydrous potassium carbonate, reflux for 5h, add a small amount of water after the reaction, let it stand and cool to room temperature to obtain a white precipitate. Recrystallization with ethyl acetate to obtain white crystals with a yield of 81%,m.p.114 ℃ (literature value 114~115 ℃). The above-mentioned synthetic route has been studied by relevant domestic units. Although the total yield is still low, it has been much higher than that of foreign literature. Further research has great hope for the realization of industrialization. According to literature reports, the synthesis of benzozonazole abroad follows the following route. |
Last Update：2024-04-09 02:00:06
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