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CS-W001157 4
Total: USD 88.00

3,3-Diethoxypropan-1-ol

  • CAS No. 16777-87-0

  • Cat. No. CS-0046319
  • Purity≥97%
  • MDL No.MFCD00074850

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

3,3-Diethoxypropan-1-ol|CS-0046319

Structure of 16777-87-0

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General Information

  • CAS No. 16777-87-0
  • Cat. No. CS-0046319
  • Purity ≥97%
  • MDL No. MFCD00074850
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₆O₃
  • Molecular Weight 148.20
  • Synonym(s) 3,3-Diethoxy-propan-1-ol
  • SMILES OCCC(OCC)OCC

Description

3,3-Diethoxy-1-propanol was used in the synthesis of -acetal-poly(ethylene glycol) via reaction with potassium napthalide and ethylene oxide inside an UniLab Glovebox.

Application

3,3-Diethoxypropan-1-ol serves as a stable, bench-ready synthon for the construction of heterocyclic scaffolds and functionalized alkyl chains. Its diethoxy group enables facile acid-mediated cleavage to generate reactive 3-oxopropionaldehyde intermediates, while the primary alcohol supports diverse transformations including esterification, etherification, and coupling reactions. The molecule exhibits excellent stability under ambient conditions and is compatible with standard purification protocols, making it a practical building block in medicinal chemistry and process development workflows.

Synthesis

  • Route1

    References

    • NOF CORPORATION Patent: US2012/277477 A1, 2012 ; Location in patent: Page/Page column 5 ;
  • Route2
    • null|null
      78314-63-3
    • ~94%
    • In-stock
      3,3-Diethoxypropan-1-ol|CS-0046319
      16777-87-0

    References

    • Uenishi; Motoyama; Takahashi Tetrahedron Asymmetry, 1994 , vol. 5, # 1 p. 101 - 110
  • Route3
    • In-stock
      Reuterin|CS-0144520
      2134-29-4
    • null|null
      122-51-0
    • ~%
    • In-stock
      3,3-Diethoxypropan-1-ol|CS-0046319
      16777-87-0

    References

    • Journal of Medicinal Chemistry, , vol. 18, p. 376 - 383

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   38.69
  • LogP   0.7679
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   6

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