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CS-W001157 4
Total: USD 88.00

2-(1-Adamantyl)-4-methylphenol

  • CAS No. 41031-50-9

  • Cat. No. CS-0006597
  • Molecule weight242.36
  • Purity≥97%
  • MDL No.MFCD00168147

*For research and further manufacturing use only, not for direct human use.

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

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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

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.

Synthesis

  • Route1

    References

    • Li, Jincai; Gao, Wei; Wu, Qiaolin; Li, Hongchun; Mu, Ying Journal of Organometallic Chemistry, 2011 , vol. 696, # 13 p. 2499 - 2506
  • Route2

    References

    • Wang, Nan; Wang, Ronghua; Shi, Xia; Zou, Gang Beilstein Journal of Organic Chemistry, 2012 , vol. 8, p. 227 - 233
  • Route3

    References

    • Aigami,K. et al. Journal of Medicinal Chemistry, 1975 , vol. 18, p. 713 - 721

Safety Information

Download SDS
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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Computational Chemistry Data

  • TPSA   20.23
  • LogP   4.16842
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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