| Identification | Back Directory | [Name]
2-(1-ADAMANTYL)-4-METHYLPHENOL | [CAS]
41031-50-9 | [Synonyms]
2-(1-Adamantyl)-p-cresol
2-(AdaMantyl)-4-Methylphenol
2-(1-ADAMANTYL)-4-METHYLPHENOL
2-(AdaMantan-1-yl)-4-Methylphenol
2-(1-Adamantyl)-4-methylphenol 99%
phenol, 4-methyl-2-tricyclo[3.3.1.1~3,7~]dec-1-yl- | [Molecular Formula]
C17H22O | [MDL Number]
MFCD00168147 | [MOL File]
41031-50-9.mol | [Molecular Weight]
242.36 |
| Chemical Properties | Back Directory | [Melting point ]
128-130 °C(lit.)
| [Boiling point ]
359.9±21.0 °C(Predicted) | [density ]
1.137±0.06 g/cm3 (20 ºC 760 Torr) | [form ]
Powder | [pka]
10.43±0.43(Predicted) | [color ]
White | [Water Solubility ]
Sparingly Soluble in water (7.8E-3 g/L) (25°C). | [InChI]
1S/C17H22O/c1-11-2-3-16(18)15(4-11)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,12-14,18H,5-10H2,1H3/t12-,13+,14-,17- | [InChIKey]
XHLJIHBDAJFXBE-ZZNDEYBLSA-N | [SMILES]
Cc1ccc(O)c(c1)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3 |
| Hazard Information | Back Directory | [Uses]
2-(1-Adamantyl)-4-methylphenol is a suitable starting reagent used in the synthesis of 2-(1-adamantyl)-4-methylthiophenol. It may also be used in the synthesis of 3-(1-adamantyl)-2-hydroxy-5-methylbenzaldehyde by reacting with urotropin. It may be used in the synthesis of adamantyl-substituted chromium(III) complex, a catalyst for enantioselective hetero-Diels-Alder reactions. | [Uses]
2-(1-Adamantyl)-4-methylphenol, is used as a pharmaceutical intermediate. | [General Description]
2-(1-Adamantyl)-4-methylphenol is a 2-adamantylphenol derivative. It has been synthesized by the adamantylation of p-cresol with 1-adamantanol. The structure has been confirmed by 1H and 13C NMR. |
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Alfa Aesar
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Sigma-Aldrich
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SPIRO PHARMA
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