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41031-50-9

41031-50-9 Structure

41031-50-9 Structure
IdentificationBack 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 PropertiesBack 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).
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

2907290090
Hazard InformationBack 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.
Spectrum DetailBack Directory
[Spectrum Detail]

2-(1-ADAMANTYL)-4-METHYLPHENOL(41031-50-9)IR
2-(1-ADAMANTYL)-4-METHYLPHENOL(41031-50-9)Raman
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