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CS-W001157 4
Total: USD 88.00

1,2,6-Hexanetriol

  • CAS No. 106-69-4

  • Cat. No. CS-W013379
  • Purity≥95%
  • MDL No.MFCD00002976

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

1,2,6-Hexanetriol|CS-W013379

Structure of 106-69-4

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General Information

  • CAS No. 106-69-4
  • Cat. No. CS-W013379
  • Purity ≥95%
  • MDL No. MFCD00002976
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₄O₃
  • Molecular Weight 134.18
  • Synonym(s) None
  • SMILES OCCCCC(O)CO

Description

Methyltetrazine-NHS ester has an N-hydroxysuccinimide (NHS) ester that can be reacted with primary amines and a methyltetrazine, which is reactive to trans-cyclooctenes. The NHS ester reacts with primary amines (e.g. side chain of lysine residues or aminosilane-coated surfaces) at neutral or slightly basic pH to form covalent bonds. The short spacer arm adds minimal mass to modified molecules (230.2 daltons). It is generally used in click chemistry applications in bioconjugate chemistry.

Synthesis

  • Route1

    References

    • Netherlands Organisation for Scientific Research (Advanced Chemical Technologies for Sustainability) Patent: EP2390247 A1, 2011 ; Location in patent: Page/Page column 9 ;
  • Route2

    References

    • Angewandte Chemie - International Edition, , vol. 50, # 31 p. 7083 - 7087
  • Route3
    • [5-(hydroxymethyl)oxolan-2-yl]methanol|CS-0217809
      104-80-3
    • ~26%
    • In-stock
      1,2,6-Hexanetriol|CS-W013379
      106-69-4

    References

    • NETHERLANDS ORGANISATION FOR SCIENTIFIC RESEARCH (ADVANCED CHEMICAL TECHNOLOGIES FOR SUSTAINABILITY); DE VRIES, Johannes Gerardus; TEDDY, .; HUAT PHUA, Pim; MELIAN CABRERA, Ignacio Vladimiro; HEERES, Hero Jan Patent: WO2011/149339 A1, 2011 ; Location in patent: Page/Page column 19-20 ;

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   60.69
  • LogP   -0.4978
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   5

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