394688

2-(1-Adamantyl)-4-methylphenol

99%

• Formule empirique (notation de Hill): C₁₇H₂₂O
• Numéro CAS: 41031-50-9
• Poids moléculaire : 242.36
• Numéro MDL: MFCD00168147
• Code UNSPSC : 12352100
• ID de substance PubChem : 24864613
• Nomenclature NACRES : NA.22

Propriétés

• Pureté: 99%
• Forme: powder
• Pf: 128-130 °C (lit.)
• Chaîne SMILES: Cc1ccc(O)c(c1)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3
• 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-
• Clé InChI: XHLJIHBDAJFXBE-ZZNDEYBLSA-N

Description

Description générale

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.

Application

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.

Informations sur la sécurité

• Pictogrammes: GHS07
• Mention d'avertissement: Warning
• Mentions de danger: H315,H319,H335
• Conseils de prudence: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Classification des risques: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Organes cibles: Respiratory system
• Code de la classe de stockage: 11 - Combustible Solids
• Classe de danger pour l'eau (WGK): WGK 3
• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable
• Équipement de protection individuelle: dust mask type N95 (US), Eyeshields, Gloves