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| | 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone Basic information |
| Product Name: | 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone | | Synonyms: | 1-(4-chlorophenyl)-4,4-dimethyl-3-pentanon;hwg1608-alkylketon;1-(4-CHLOROPHENYL)-4,4-DIMETHYL-3-PENTANONE;1-(4-Chlorophenyl)-4,4-Dimethylpentane-3-One;4,4-Dimethyl-1-(p-chlorophenyl)-3-pentanone;1-(4-Chlorophenyl)-4,4-dimethy;tebuconazole impurity 1;1-(4-chlorophenyl)-4,4,-dimethyl-3-pentanone (intermediate of tebuconazole) | | CAS: | 66346-01-8 | | MF: | C13H17ClO | | MW: | 224.73 | | EINECS: | | | Product Categories: | (intermediate of tebuconazole) | | Mol File: | 66346-01-8.mol |  |
| | 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone Chemical Properties |
| Boiling point | 297.4±15.0 °C(Predicted) | | density | 1.050±0.06 g/cm3(Predicted) | | solubility | Chloroform (Slightly), Methanol (Slightly) | | form | Oil | | color | Colourless | | Henry's Law Constant | 1.1×100 mol/(m3Pa) at 25℃, Zhang et al. (2010) | | InChI | InChI=1S/C13H17ClO/c1-13(2,3)12(15)9-6-10-4-7-11(14)8-5-10/h4-5,7-8H,6,9H2,1-3H3 | | InChIKey | ILQGIJDYSLHIOX-UHFFFAOYSA-N | | SMILES | C(C1=CC=C(Cl)C=C1)CC(=O)C(C)(C)C | | CAS DataBase Reference | 66346-01-8(CAS DataBase Reference) | | EPA Substance Registry System | 3-Pentanone, 1-(4-chlorophenyl)-4,4-dimethyl- (66346-01-8) |
| | 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone Usage And Synthesis |
| Uses | 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone is a versatile organic compound. It is used both as a solvent and in the manufacture of certain insecticides and herbicides. It is also used in biological research, and there are current reports on its ability to inhibit the growth of specific bacteria, fungi and viruses, as well as to reduce the toxicity of specific drugs. It is also considered an antioxidant, neutralising reactive oxygen species and reducing oxidative stress. | | Synthesis | 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone was synthesised using 1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one as raw material by chemical reaction. The specific synthesis steps are as follows:
56.7 g (0.25 mol) of compound dissolved in 125 ml of methanol The solution was added to the autoclave, and 0.17 g of Raney nickel (catalyst) and 0.17 g of sulfolane (cocatalyst) were added; the autoclave was sealed and replaced with nitrogen and hydrogen. Then keep the pressure at 50-60 and react under 0.1MPa, and the reaction is completed in the central control; the pressure is relieved and the catalyst is recovered by filtration (the same amount of feed can be used 20 times, and each time 0.17g of co-catalyst can be added), and 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone after washing 55.6g, yield 99%, content 98.9% (dechlorination content 0.09%).
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| | 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone Preparation Products And Raw materials |
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