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| | 4'-tert-Butylacetophenone Basic information |
| | 4'-tert-Butylacetophenone Chemical Properties |
| Melting point | 17-18 °C (dimorphic)(lit.) | | Boiling point | 107-108 °C5 mm Hg(lit.) | | density | 0.964 g/mL at 25 °C(lit.) | | refractive index | n20/D 1.52(lit.) | | Fp | 86 °F | | storage temp. | Sealed in dry,Room Temperature | | solubility | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) | | form | Liquid | | Specific Gravity | 0.964 | | color | Clear colorless | | Water Solubility | insoluble | | Cosmetics Ingredients Functions | PERFUMING | | InChI | 1S/C12H16O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-8H,1-4H3 | | InChIKey | UYFJYGWNYQCHOB-UHFFFAOYSA-N | | SMILES | CC(=O)c1ccc(cc1)C(C)(C)C | | LogP | 3.521 (est) | | CAS DataBase Reference | 943-27-1(CAS DataBase Reference) | | NIST Chemistry Reference | Ethanone, 1-[4-(1,1-dimethylethyl)phenyl]-(943-27-1) | | EPA Substance Registry System | Ethanone, 1-[4-(1,1-dimethylethyl)phenyl]- (943-27-1) |
| Hazard Codes | Xn,Xi | | Risk Statements | 10-36/37/38-20/21/22 | | Safety Statements | 16-29-33-36/37/39-26 | | RIDADR | UN 1224 3/PG 3 | | WGK Germany | 2 | | TSCA | TSCA listed | | HazardClass | 3.2 | | PackingGroup | III | | HS Code | 29143990 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Flam. Liq. 3 |
| | 4'-tert-Butylacetophenone Usage And Synthesis |
| Chemical Properties | clear colorless liquid | | Uses | 4-tert-Butylacetophenone is an Impurity arising in the synthesis of Ebastine (E320000). Ebastine Impurity B. | | Uses | 4'-tert-Butylacetophenone is used in the synthesis of 2-pyridone derivatives. | | Uses | 4′-tert-Butylacetophenone may be used in the synthesis of 2-pyridone derivatives and their fluorescence spectra has been evaluated. | | General Description | 4′-tert-Butylacetophenone is a para-substituted acetophenone. | | Synthesis | p-Tert-butyl acetophenone was prepared as follows: in a 2 ml reaction vial 2-(4-(tert-butyl)phenyl)propan-2-ol (59.4 mg, 0.3 mmol), AgNO3 (1.6 mg, 3 mol%), Bi(OTf)3 (6 mg, 3 mol%) and K2S2O8 (245.8 mg. 3eq), and finally 2 wt% aqueous DAPGS-750-M (0.6 ml, 0.5 M) was added, followed by capping the reaction vial and stirring. After the stirring of the reaction solution, the reaction was extracted three times using ethyl acetate, and the organic phases of several extractions were combined into a 50 mL aubergine flask and processed for about 5 min using a Heidolph rotary evaporator with a rotational speed of 120 rpm, a temperature of 38 C, and a vacuum of 0.1 MPa, followed by column chromatography using a 200-mesh column chromatography silica gel with a unfolding agent of petroleum ether: ethyl acetate = 20: 1 Around, the target compound p-tert-butyl acetophenone was isolated. (42.8 mg, 81% yield, 98% purity by HPLC analysis, from the NMR profile, signal, noise, etc. can also reflect the product purity is very high). |
| | 4'-tert-Butylacetophenone Preparation Products And Raw materials |
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