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CS-W001157 4
Total: USD 88.00

2-((4-(tert-Butyl)phenoxy)methyl)oxirane

  • CAS No. 3101-60-8

  • Cat. No. CS-W015312
  • Purity≥96%
  • MDL No.MFCD00005136

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

2-((4-(tert-Butyl)phenoxy)methyl)oxirane|CS-W015312

Structure of 3101-60-8

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General Information

  • CAS No. 3101-60-8
  • Cat. No. CS-W015312
  • Purity ≥96%
  • MDL No. MFCD00005136
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈O₂
  • Molecular Weight 206.29
  • Synonym(s) p-tert-Butylphenyl glycidyl ether
  • SMILES CC(C1=CC=C(OCC2CO2)C=C1)(C)C

Description

This epoxide integrates a bulky tert-butylphenyl ether moiety, enhancing steric shielding and stability. The benzylic oxirane ring enables selective ring-opening reactions under mild conditions, facilitating functionalization in complex molecule synthesis. Designed for robust handling and compatibility with diverse reaction environments.

Application

2-((4-(tert-Butyl)phenoxy)methyl)oxirane serves as a versatile epoxide building block in synthetic organic chemistry, enabling efficient construction of complex ethers and heterocycles. Its benzylic epoxide functionality exhibits high reactivity in nucleophilic ring-opening reactions under mild conditions, with excellent functional group tolerance and bench stability. The tert-butyl substituent provides steric shielding and enhances solubility, facilitating purification and scalability in medicinal chemistry workflows.

Synthesis

  • Route1
    • null|null
      98-54-4
    • null|null
      106-89-8
    • ~76%
    • In-stock
      2-((4-(tert-Butyl)phenoxy)methyl)oxirane|CS-W015312
      3101-60-8

    References

    • AstraZeneca AB Patent: US6291475 B1, 2001 ; US 6291475 B1
  • Route2
    • null|null
      98-54-4
    • In-stock
      Dimethyl sulfoxide|CS-0996365
      67-68-5
    • null|null
      106-89-8
    • ~%
    • In-stock
      2-((4-(tert-Butyl)phenoxy)methyl)oxirane|CS-W015312
      3101-60-8

    References

    • EP583971 A1, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H315-H319-H340
Precautionary Statements : P264-P280-P302+P352-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   21.76
  • LogP   2.7617
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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