2-(1-Adamantyl)-4-methylphenol

ALDRICH/394688 - 99%

CAS Number: 41031-50-9
Empirical Formula (Hill Notation): C₁₇H₂₂O
Molecular Weight: 242.36
MDL Number: MFCD00168147
Linear Formula: C₁₇H₂₂O
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-394688-1G	1 g	$70.80 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	99%
form	powder
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-
InChI key	XHLJIHBDAJFXBE-ZZNDEYBLSA-N
mp	128-130 °C (lit.)
SMILES string	Cc1ccc(O)c(c1)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3

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.
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.
Packaging:	1 g in glass bottle

Symbol	GHS07
Signal word	Warning
Hazard statements	H315 - H319 - H335
Precautionary statements	P302 + P352 - P305 + P351 + P338
Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-36
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	99%
mp	128-130 °C (lit.)
UNSPSC	12352100

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