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CS-W001157 4
Total: USD 88.00

5-LOX-IN-9

  • CAS No. 2668-47-5

  • Cat. No. CS-0961712
  • Purity≥98%
  • MDL No.MFCD00082900

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

5-LOX-IN-9|CS-0961712

Structure of 2668-47-5

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General Information

  • CAS No. 2668-47-5
  • Cat. No. CS-0961712
  • Purity ≥98%
  • MDL No. MFCD00082900
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₀H₂₆O
  • Molecular Weight 282.43
  • Synonym(s) None
  • SMILES OC=1C(=CC(=CC1C(C)(C)C)C=2C=CC=CC2)C(C)(C)C

Description

3,5-Di-tert-butyl-[1,1-biphenyl]-4-ol features a sterically shielded biphenyl scaffold with electron-rich phenolic functionality. The bulky tert-butyl groups at the 3 and 5 positions confer exceptional steric protection to the hydroxyl group, enhancing stability under oxidative conditions. This configuration enables reliable use in catalytic systems and as a robust ligand scaffold in transition metal chemistry.

Application

3,5-Di-tert-butyl-[1,1-biphenyl]-4-ol serves as a sterically hindered phenolic building block for the synthesis of functionalized biphenyl scaffolds. Its ortho-di-tert-butyl substitution imparts exceptional bench stability and resistance to oxidation, enabling reliable use in Suzuki-Miyaura coupling and electrophilic aromatic substitution. The phenolic hydroxyl group facilitates downstream derivatization while maintaining compatibility with common protecting group strategies.

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 : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   5.6542
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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