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CS-W001157 4
Total: USD 88.00

3,5-Dimethylhex-1-yn-3-ol

  • CAS No. 107-54-0

  • Cat. No. CS-W013492
  • Purity≥98%
  • MDL No.MFCD00008941

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

3,5-Dimethylhex-1-yn-3-ol|CS-W013492

Structure of 107-54-0

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General Information

  • CAS No. 107-54-0
  • Cat. No. CS-W013492
  • Purity ≥98%
  • MDL No. MFCD00008941
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O
  • Molecular Weight 126.20
  • Synonym(s) 3,5-Dimethyl-1-hexyn-3-ol
  • SMILES C#CC(O)(C)CC(C)C

Description

Bimolecular rate constant for the reaction of the hydroxyl radical (OH) with 3,5-dimethyl-1-hexyn-3-ol has been been measured using the relative rate technique. Reaction of CO2 with 3,5-dimethyl-1-hexyn-3-ol catalyzed by CuCl in different ionic liquids and solvents has been investigated.3,5-Dimethyl-1-hexyn-3-ol may be used to synthesize:3,5-Dimethyl-1-phenyl-1-hexen-3-ol via one-pot palladium-mediated hydrostannylation/Stille cross-coupling.3,5-dimethyl-1-hexyn-3-acetate via esterification with acetic anhydride in a neutral ionic liquid (1-butyl-3-methylimidazolium tetrafluoroborate).3,5-Dimethyl-3-hydroxy-1-hexen-1-yl benzoate via anti-Markovnikov addition of benzoic acid.

Synthesis

  • Route1
    • null|null
      108-10-1
    • null|null
      74-86-2
    • ~88%
    • In-stock
      3,5-Dimethylhex-1-yn-3-ol|CS-W013492
      107-54-0

    References

    • Verkruijsse, Hermann D.; Graaf, Wim de; Brandsma, Lambert Synthetic Communications, 1988 , vol. 18, # 2 p. 131 - 134
  • Route2
    • null|null
      108-10-1
    • null|null
      4301-14-8
    • ~%
    • In-stock
      3,5-Dimethylhex-1-yn-3-ol|CS-W013492
      107-54-0

    References

    • European Journal of Organic Chemistry, , # 1 p. 40 - 43
  • Route3
    • null|null
      108-10-1
    • null|null
      74-86-2
    • ~%
    • In-stock
      3,5-Dimethylhex-1-yn-3-ol|CS-W013492
      107-54-0
    • In-stock
      2,4,7,9-Tetramethyldec-5-yne-4,7-diol|CS-0077080
      126-86-3

    References

    • US2163720 , ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS06
Signal Word : Danger
UN#: 1986
Class : 3 (6.1)
Packing Group : Ⅲ
Hazard Statements : H226-H301+H311+H331-H319
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P370+P378-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   1.4167
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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