2-(1-Adamantyl)-4-methylphenol

Name: 2-(1-Adamantyl)-4-methylphenol
Brand: ChemScene
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CAS No. 41031-50-9
Cat. No. CS-0006597
Purity≥97%
MDL No.MFCD00168147

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2-(1-Adamantyl)-4-methylphenol|CS-0006597

Structure of 41031-50-9

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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.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 Information

CAS No. 41031-50-9
Cat. No. CS-0006597
Purity ≥97%
MDL No. MFCD00168147
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₇H₂₂O
Molecular Weight 242.36
Synonym(s) 2-(1-Adamantyl)-p-cresol
SMILES OC1=CC=C(C)C=C1C23CC4CC(C3)CC(C2)C4

Computational Chemistry Data

TPSA 20.23
LogP 4.16842
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 1

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Bridge Rings compounds Adamantane compounds

Key Words

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2-(1-Adamantyl)-4-methylphenol

CAS No. 41031-50-9

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