p-tert-Butylacetophenone
4'-tert-Butylacetophenone
CAS: 943-27-1
Molecular Formula: C12H16O
p-tert-Butylacetophenone - Names and Identifiers
| Name | 4'-tert-Butylacetophenone |
| Synonyms | PHENOMUSCOL 4-t-Butylacetophenone 4'-t-Butylacetophenone p-tert-Butylacetophenon 4-tert-Butylacetophenone p-tert-Butylacetophenone 4'-tert-Butylacetophenone Acetophenone, 4'-tert-butyl- 1-(4-tert-butylphenyl)ethanone 1-[4-(1,1-dimethylethyl)phenyl]-Ethanone Ethanone,1-[4-(1,1-dimethylethyl)phenyl]- |
| CAS | 943-27-1 |
| EINECS | 213-399-3 |
| InChI | InChI=1/C12H16O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-8H,1-4H3 |
p-tert-Butylacetophenone - Physico-chemical Properties
| Molecular Formula | C12H16O |
| Molar Mass | 176.25 |
| Density | 0.964g/mLat 25°C(lit.) |
| Melting Point | 17-18°C (dimorphic)(lit.) |
| Boling Point | 107-108°C5mm Hg(lit.) |
| Flash Point | 86°F |
| Water Solubility | insoluble |
| Vapor Presure | 0.0186mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 0.964 |
| Color | Clear colorless |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.52(lit.) |
| Physical and Chemical Properties | Colorless liquid, soluble in alcohol and ether, slightly soluble in water. Melting point 5 c. Boiling point 107-108°C/665Pa. Density 0.934. The refractive index is 1.5200. |
| Use | Used as pharmaceutical intermediates, also used in organic synthesis |
p-tert-Butylacetophenone - Risk and Safety
| Risk Codes | R10 - Flammable R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S16 - Keep away from sources of ignition. S29 - Do not empty into drains. S33 - Take precautionary measures against static discharges. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| UN IDs | UN 1224 3/PG 3 |
| WGK Germany | 2 |
| TSCA | T |
| HS Code | 29143990 |
| Hazard Class | 3.2 |
| Packing Group | III |
p-tert-Butylacetophenone - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | p-substituted acetophenones in Aromatic ketones, including P-tert-butyl acetophenone, are important intermediates, can be used for the production of medicines and spices and other fine and special chemicals. |
| preparation | p-tert-butyl acetophenone was prepared as follows: 2-(4-(tert-butyl)phenyl) was added to a 2ml reaction flask. propan-2-ol(59.4mg,0.3mmol), AgNO3(1.6mg,3mol%),Bi(OTf)3(6mg,3mol%) and K2S2O8(245.8mg,3eq), finally, 2wt% DAPGS-750-M aqueous solution (0.6ml,0.5M) was added, followed by stirring of the reaction flask. After the reaction solution was stirred, the reaction solution was extracted with ethyl acetate for three times, and the organic phases extracted several times were combined into a 50ml eggplant bottle, using a Heidolph rotary evaporator at 120rpm and a temperature of 38 ° C, the vacuum degree is 0.1Mpa, the treatment is about 5min, then the column chromatography is carried out by using 200 mesh column chromatography silica gel, and the developing solvent is petroleum ether: ethyl acetate = about 20:1, and the target compound p-tert-butyl acetophenone is separated. (42.8mg, the yield was 81%, the purity was 98% by HPLC analysis, from the NMR profile, signal, noise and other aspects can also reflect the product purity is very high). |
| uses | for pharmaceutical intermediates, organic synthesis. used as pharmaceutical intermediates, also used in organic synthesis |
Last Update：2024-04-10 22:29:15
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