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CS-W001157 4
Total: USD 88.00

2-Methylene-1,3-propanediol

  • CAS No. 3513-81-3

  • Cat. No. CS-W009247
  • Purity≥97%
  • MDL No.MFCD00075162

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

2-Methylene-1,3-propanediol|CS-W009247

Structure of 3513-81-3

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General Information

  • CAS No. 3513-81-3
  • Cat. No. CS-W009247
  • Purity ≥97%
  • MDL No. MFCD00075162
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₈O₂
  • Molecular Weight 88.11
  • Synonym(s) 1,3-Hydroxy-2-methylenepropane; 2-methylidenepropane-1,3-diol
  • SMILES OCC(CO)=C

Description

2-Methylene-1,3-propanediol features a reactive exocyclic methylene group flanked by two hydroxyl-bearing carbons, enabling efficient incorporation into polymer backbones and crosslinking networks. This bifunctional diol delivers enhanced reactivity under mild conditions while maintaining stability during storage.

Application

2-Methylene-1,3-propanediol serves as a versatile synthon in organic synthesis, enabling efficient access to α,β-unsaturated carbonyl systems and heterocyclic scaffolds. Its bifunctional hydroxyl groups and reactive exocyclic methylene moiety facilitate regioselective transformations, including etherification, esterification, and cyclization reactions. The compound exhibits good bench stability and compatibility with standard purification methods, making it a practical building block for medicinal chemistry and process development workflows.

Synthesis

  • Route1

    References

    • Masuyama, Yoshiro; Kagawa, Masaaki; Kurusu, Yasuhiko Chemical Communications, 1996 , # 13 p. 1585 - 1586
  • Route2

    References

    • Grue-Sorensen; Mann Nielsen; Kaergaard Nielsen Journal of Medicinal Chemistry, 1988 , vol. 31, # 6 p. 1174 - 1178
  • Route3

    References

    • Chalova, O. B.; Chistoedova, G. B.; Kiladze, T. K.; Germash, E. V.; Kantor, E. A.; Rakhmankulov, D. L. J. Appl. Chem. USSR (Engl. Transl.), 1988 , vol. 61, # 4 p. 934 - 937,853 - 855

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   40.46
  • LogP   -0.4728
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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