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CS-W001157 4
Total: USD 88.00

2-Propynylurea

  • CAS No. 5221-62-5

  • Cat. No. CS-0042340
  • Purity≥95%
  • MDL No.MFCD00052817

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

2-Propynylurea|CS-0042340

Structure of 5221-62-5

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General Information

  • CAS No. 5221-62-5
  • Cat. No. CS-0042340
  • Purity ≥95%
  • MDL No. MFCD00052817
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₆N₂O
  • Molecular Weight 98.10
  • Synonym(s) Propargylurea
  • SMILES O=C(N)NCC#C

Description

2-Propynylurea features a terminal alkyne group integrated into a urea scaffold, enabling direct incorporation into click chemistry workflows. This bench-stable reagent facilitates efficient conjugation strategies in synthetic biology and materials science applications.

Application

2-Propynylurea serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized heterocycles and bioactive scaffolds. Its terminal alkyne group facilitates copper-catalyzed azide-alkyne cycloaddition (CuAAC), while the urea moiety offers hydrogen-bonding capacity and metabolic stability. The compound exhibits excellent bench stability, ease of handling, and compatibility with diverse reaction conditions, making it a practical choice for modular synthesis in medicinal chemistry and materials science applications.

Synthesis

  • Route1
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    • ~%
    • In-stock
      2-Propynylurea|CS-0042340
      5221-62-5

    References

    • Sato Nippon Kagaku Zasshi, 1956 , vol. 77, p. 1411 Chem.Abstr., 1959 , p. 5112
  • Route2
    • null|null
      89032-97-3
    • ~%
    • In-stock
      2-Propynylurea|CS-0042340
      5221-62-5

    References

    • Sato Nippon Kagaku Zasshi, 1955 , vol. 76, p. 1404 Chem.Abstr., 1957 , p. 17760
  • Route3
    • null|null
      590-28-3
    • In-stock
      Propargylamine hydrochloride|CS-W009555
      15430-52-1
    • ~%
    • In-stock
      2-Propynylurea|CS-0042340
      5221-62-5

    References

    • Schulte,K.E. et al. Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft, 1966 , vol. 299, p. 107 - 112

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   55.12
  • LogP   -0.7121
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   1

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