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| | p-Trifluoromethoxy phenol Basic information | | Uses |
| | p-Trifluoromethoxy phenol Chemical Properties |
| Melting point | 17-18°C | | Boiling point | 92 °C25 mm Hg(lit.) | | density | 1.375 g/mL at 25 °C(lit.) | | refractive index | n20/D 1.447(lit.) | | Fp | 187 °F | | storage temp. | Keep in dark place,Inert atmosphere,Room temperature | | solubility | Chloroform, Methanol | | pka | 9.30±0.13(Predicted) | | form | Liquid | | Specific Gravity | 1.375 | | color | Clear brown | | BRN | 1945934 | | InChI | 1S/C7H5F3O2/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H | | InChIKey | NWVVVBRKAWDGAB-UHFFFAOYSA-N | | SMILES | Oc1ccc(OC(F)(F)F)cc1 | | CAS DataBase Reference | 828-27-3(CAS DataBase Reference) | | NIST Chemistry Reference | Phenol, 4-(trifluoromethoxy)-(828-27-3) |
| Hazard Codes | Xn,Xi | | Risk Statements | 20/21/22-36/37/38 | | Safety Statements | 26-27-36/37/39 | | RIDADR | 2927 | | WGK Germany | 2 | | Hazard Note | Irritant | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29095090 | | Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials | | Hazard Classifications | Acute Tox. 3 Oral
Aquatic Chronic 3
Eye Dam. 1
Skin Corr. 1B |
| | p-Trifluoromethoxy phenol Usage And Synthesis |
| Uses | 4-(Trifluoromethoxy)phenol is used as a reactant in the preparation of 1-aryloxyethyl piperazine derivatives as Kv1.5 potassium channel inhibitors. | | Chemical Properties | clear brown liquid | | Uses | 4-(Trifluoromethoxy)phenol was employed in the catalytic enantioselective synthesis of esters. | | Uses | Intermediates of Liquid Crystals | | Uses | 4-(Trifluoromethoxy)phenol is used as a reactant in the preparation of 1-aryloxyethyl piperazine derivatives as Kv1.5 potassium channel inhibitors. | | Synthesis Reference(s) | Journal of Medicinal Chemistry, 25, p. 1097, 1982 DOI: 10.1021/jm00351a018 | | Synthesis | General procedure for the synthesis of 4-trifluoromethoxyphenol from 4-trifluoromethoxyphenylboronic acid: In an atypical method, a flask containing 4-trifluoromethoxyphenylboronic acid (100 mg, 0.82 mmol) was taken to which 10 mol% of iron(III) oxide photocatalyst (13.1 mg) and tetrahydrofuran (2 ml) were added. The reaction mixture was stirred in a normal open flask under diffuse sunlight until complete consumption of the feedstock was shown by thin layer chromatography (TLC) detection. Upon completion of the reaction, the reaction was quenched with water and filtered to remove the catalyst. The filtrate was concentrated under vacuum. The crude product was purified by column chromatography on silica gel (100-200 mesh) with an eluent of 15:1 ethyl acetate/hexane, resulting in 73.2 mg (95% yield) of pure crystalline 4-trifluoromethoxyphenol. | | References | [1] Tetrahedron Letters, 2014, vol. 55, # 4, p. 811 - 814
[2] Tetrahedron Letters, 2015, vol. 55, # 4, p. 811 - 814
[3] Synthesis (Germany), 2014, vol. 46, # 3, p. 295 - 300 |
| | p-Trifluoromethoxy phenol Preparation Products And Raw materials |
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