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CS-W001157 4
Total: USD 88.00

4-Octylbenzoic acid

  • CAS No. 3575-31-3

  • Cat. No. CS-W010336
  • Purity≥95%
  • MDL No.MFCD00042649

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

4-Octylbenzoic acid|CS-W010336

Structure of 3575-31-3

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General Information

  • CAS No. 3575-31-3
  • Cat. No. CS-W010336
  • Purity ≥95%
  • MDL No. MFCD00042649
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₂O₂
  • Molecular Weight 234.34
  • Synonym(s) Para-octylbenzoic acid
  • SMILES CCCCCCCCC1=CC=C(C=C1)C(O)=O

Description

N-Boc-N-bis(PEG2-propargyl) enables Click Chemistry reactions with azide-bearing compounds or biomolecules via copper catalyzed Click Chemistry. The Boc-protected amine can be deprotected under acidic conditions.

Synthesis

  • Route1
    • In-stock
      Coumalic acid|CS-0001427
      500-05-0
    • null|null
      872-05-9
    • ~72%
    • In-stock
      4-Octylbenzoic acid|CS-W010336
      3575-31-3

    References

    • IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC.; KRAUS, George A. Patent: WO2013/15918 A1, 2013 ; Location in patent: Page/Page column 11; 12; 16; 18; 19; 20 ;
  • Route2
    • 4-Octylbenzaldehyde|CS-W014788
      49763-66-8
    • ~%
    • In-stock
      4-Octylbenzoic acid|CS-W010336
      3575-31-3

    References

    • Journal of Medicinal Chemistry, , vol. 31, # 1 p. 84 - 91
  • Route3
    • Methyl 4-octylbenzoate|CS-0327028
      54256-51-8
    • ~99%
    • In-stock
      4-Octylbenzoic acid|CS-W010336
      3575-31-3

    References

    • Foss Jr., Frank W.; Mathews, Thomas P.; Kharel, Yugesh; Kennedy, Perry C.; Snyder, Ashley H.; Davis, Michael D.; Lynch, Kevin R.; Macdonald, Timothy L. Bioorganic and Medicinal Chemistry, 2009 , vol. 17, # 16 p. 6123 - 6136

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   4.2878
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   8

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