3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole manufacturers
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| | 3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole Basic information |
| Product Name: | 3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole | | Synonyms: | 3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole;4-(1-Methyl-1H-pyrazol-3-yl)benzyl bromide;4-(1-Methyl-1H-pyrazol-3-yl)benzyl bromide 97%;4-(1-Methyl-1H-pyrazol-3-yl)benzyl chloride 97%;4-(1-Methyl-1H-pyrazol-3-yl)benzyl chloride;3-(4-(Chloromethyl);3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole 97%;3-[4-(Chloromethyl)phenyl]-1-methyl-1H-pyrazole97% | | CAS: | 916766-83-1 | | MF: | C11H11ClN2 | | MW: | 206.67 | | EINECS: | 200-258-5 | | Product Categories: | | | Mol File: | 916766-83-1.mol | ![3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole Structure](CAS/GIF/916766-83-1.gif) |
| | 3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole Chemical Properties |
| Melting point | 78 °C | | Boiling point | 343.3±30.0 °C(Predicted) | | density | 1.17±0.1 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | form | powder | | pka | 1.53±0.10(Predicted) | | color | White | | Sensitive | Lachrymatory | | InChI | InChI=1S/C11H11ClN2/c1-14-7-6-11(13-14)10-4-2-9(8-12)3-5-10/h2-7H,8H2,1H3 | | InChIKey | YLJMPTWMRVXTQQ-UHFFFAOYSA-N | | SMILES | N1(C)C=CC(C2=CC=C(CCl)C=C2)=N1 |
| Hazard Codes | C | | Hazard Note | Corrosive/Lachrymatory | | HS Code | 2933199090 |
| | 3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole Usage And Synthesis |
| Synthesis | (C) Synthesis of 3-(4-(chloromethyl)phenyl)-1-methyl-1H-pyrazole: [4-(1-methyl-1H-pyrazol-3-yl)phenyl]methanol (1.00 g) was dissolved in THF (15.0 mL), and thionyl chloride (0.58 mL) was added slowly and dropwise under cooling in an ice bath. The reaction mixture was stirred at 17 °C for 16 hours. After the reaction was completed, it was diluted with water and ethyl acetate and neutralized by adding saturated aqueous sodium bicarbonate. The organic layer was separated, washed with saturated brine and dried over anhydrous sodium sulfate. The solvent was removed by distillation under reduced pressure and the residue was purified by silica gel column chromatography (eluent: ethyl acetate/hexane) to afford the target product 3-(4-(chloromethyl)phenyl)-1-methyl-1H-pyrazole (0.65 g). NMR (300 MHz, CDCl3) δ 3.95 (3H, s), 4.61 (2H, s), 6.49-6.57 (1H, m). 7.33-7.44 (3H, m), 7.74-7.82 (2H, m). | | References | [1] Journal of Medicinal Chemistry, 2018, vol. 61, # 7, p. 2875 - 2894
[2] Patent: WO2015/163485, 2015, A1. Location in patent: Paragraph 0427 |
| | 3-[4-(chloromethyl)phenyl]-1-methyl-1h-pyrazole Preparation Products And Raw materials |
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