1197-01-9
1,1-Dimethyl-2-(4-Methylphenyl)Ethanol
CAS: 1197-01-9
Molecular Formula: C10H14O
1197-01-9 - Names and Identifiers
1197-01-9 - Physico-chemical Properties
| Molecular Formula | C10H14O |
| Molar Mass | 150.22 |
| Density | 0.97g/mLat 25°C(lit.) |
| Boling Point | 64°C0.6mm Hg(lit.) |
| Flash Point | 205°F |
| JECFA Number | 1650 |
| Solubility | Chloroform, Methanol (Slightly) |
| Appearance | Oil |
| Color | Colourless |
| pKa | 14.63±0.29(Predicted) |
| Storage Condition | Refrigerator, under inert atmosphere |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents. |
| Refractive Index | n20/D 1.5185(lit.) |
1197-01-9 - Risk and Safety
| WGK Germany | 2 |
1197-01-9 - References
| FEMA | 3242 | P-ALPHA,ALPHA-TRIMETHYLBENZYL ALCOHOL |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | 2-(4-methylphenyl) propan-2-ol can be used for the preparation of sulfurized alkyl compounds and pyridine trans-sulfonamide compounds for the treatment of HBV. |
| Application example | 2-(4-methylphenyl) propan-2-ol can be used for the preparation of sulfurized alkyl compounds and pyridine trans-sulfonamide compounds for HBV therapy having the following structure. This class of compounds can be used in HBV therapy by disrupting, accelerating, reducing, delaying or inhibiting normal HBV Virus replication, thereby inducing abnormal Virus replication and resulting in an anti-Virus effect, such as disruption of Virus body assembly or disassembly, or Virus body maturation or Virus expulsion. |
| preparation | 2-(4-methylphenyl) propan-2-ol can be obtained by oxidation of 4-methylcumene. In a 25ml reaction tube, 0.0011g(0.001mmol) of manganese (II) 5,10,15,20-tetrakis (2,3, 6-trichlorophenyl) porphyrin the mixture was dispersed in 1.3422g(10mmol) of 4-methylisopropylbenzene, stirred and heated to 80 ° C., and oxygen (1.0atm) was introduced. The reaction was stirred for 8.0h at 80 °c at RPM. After completion of the reaction, the reaction mixture was cooled to room temperature, 1.3115g(5.00mmol) of triphenylphosphine (PPh3) was added to the reaction mixture, and the resulting peroxide was reduced by stirring at room temperature for 40min. The reaction mixture was adjusted to 50ml with acetone as the solvent. 10ml of the resulting solution was removed and analyzed by gas chromatography using naphthalene as an internal standard. Conversion of 4-methylisopropylbenzene 20.8, selectivity of 2-(4-methylphenyl) Propan-2-ol 51%, selectivity of 4-methylacetophenone 0%, 4-methylcumene hydroperoxide selectivity was 49% and no benzoic acid formation was detected. |
Last Update：2024-04-09 02:00:15
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View History
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