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CS-W001157 4
Total: USD 88.00

1,3-Diethylurea

  • CAS No. 623-76-7

  • Cat. No. CS-W013607
  • Purity≥98%
  • MDL No.MFCD00009028

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

1,3-Diethylurea|CS-W013607

Structure of 623-76-7

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General Information

  • CAS No. 623-76-7
  • Cat. No. CS-W013607
  • Purity ≥98%
  • MDL No. MFCD00009028
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₁₂N₂O
  • Molecular Weight 116.16
  • Synonym(s) N,N'-Diethylurea
  • SMILES CCNC(NCC)=O

Description

1,3-Diethylurea is a bench-stable, moisture-tolerant urea derivative featuring two ethyl groups at the 1 and 3 positions. This substitution pattern enhances solubility in organic solvents while maintaining reactivity as a hydrogen-bond donor and polar scaffold. It serves as a valuable building block in synthetic organic chemistry and molecular design.

Application

1,3-Diethylurea serves as a stable, bench-ready urea derivative enabling selective N-alkylation and carbonyl transfer reactions in synthetic workflows. Its dual ethyl substituents enhance solubility and functional group tolerance, facilitating use in peptide coupling intermediates and heterocycle synthesis. The compound functions effectively as a building block for nitrogen-rich scaffolds in medicinal chemistry campaigns requiring robust, scalable transformations.

Synthesis

  • Route1
    • null|null
      75-04-7
    • null|null
      39076-43-2
    • ~97%
    • null|null
      74-93-1
    • In-stock
      1,3-Diethylurea|CS-W013607
      623-76-7

    References

    • Oxon Italia S.p.A. Patent: US6723875 B1, 2004 ; Location in patent: Page column 9 ;
  • Route2
    • null|null
      109-90-0
    • ~96%
    • In-stock
      1,3-Diethylurea|CS-W013607
      623-76-7

    References

    • Perveen, Shahnaz; Abdul Hai, Syed M.; Khan, Rashid A.; Khan, Khalid Mohammed; Afza, Nighat; Sarfaraz, Tahira B. Synthetic Communications, 2005 , vol. 35, # 12 p. 1663 - 1674
  • Route3
    • In-stock
      1-Ethyl-1H-imidazole|CS-W011340
      7098-07-9
    • null|null
      935-02-4
    • null|null
      109-90-0
    • ~30%
    • In-stock
      1,3-Diethylurea|CS-W013607
      623-76-7
    • null|null
      1415219-02-1

    References

    • Tetrahedron Letters, , vol. 53, # 52 p. 7040 - 7043

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   41.13
  • LogP   0.3254
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   2

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