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CS-W001157 4
Total: USD 88.00

1-(2-Hydroxyethyl)pyrrolidin-2-one

  • CAS No. 3445-11-2

  • Cat. No. CS-W009539
  • Purity≥95%
  • MDL No.MFCD00014103

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

1-(2-Hydroxyethyl)pyrrolidin-2-one|CS-W009539

Structure of 3445-11-2

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General Information

  • CAS No. 3445-11-2
  • Cat. No. CS-W009539
  • Purity ≥95%
  • MDL No. MFCD00014103
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₁NO₂
  • Molecular Weight 129.16
  • Synonym(s) N-HYDROXYETHYL PYRROLIDONE; 1-(2-Hydroxyethyl)pyrrolidin-2-one
  • SMILES OCCN1CCCC1=O

Description

1-(2-Hydroxyethyl)-2-pyrrolidone serves as a versatile heterocyclic building block in the synthesis of pharmaceutical compounds.1-(2-Hydroxyethyl)-2-pyrrolidone (HEP) can be used as a starting material for the preparation of chemical intermediates such as 1-vinylpyrrolidinone , 1-[2-(diethylamino)ethyl]-2-pyrrolidinone , 1-(2-bromoethyl)-2-pyrrolidinone.It can also be used as a building block in the synthesis of hexakis[2-(2-oxo-1-pyrrolidinyl)ethoxy]cyclotriphosphazene by a nucleophilic substitution reaction with hexachlorocyclotriphosphazene.

Synthesis

  • Route1
    • Methyl 2-(2-oxopyrrolidin-1-yl)acetate|CS-0145463
      59776-88-4
    • ~86%
    • In-stock
      1-(2-Hydroxyethyl)pyrrolidin-2-one|CS-W009539
      3445-11-2

    References

    • Ito, Masato; Ootsuka, Takashi; Watari, Ryo; Shiibashi, Akira; Himizu, Akio; Ikariya, Takao Journal of the American Chemical Society, 2011 , vol. 133, # 12 p. 4240 - 4242
  • Route2
    • null|null
      96-48-0
    • null|null
      141-43-5
    • ~87%
    • In-stock
      1-(2-Hydroxyethyl)pyrrolidin-2-one|CS-W009539
      3445-11-2

    References

    • Lisina, N. I.; Chernov, G. A.; Bizunov, Yu. M.; Emel'yanov, V. I.; Knunyants, I. L. Pharmaceutical Chemistry Journal, 1988 , vol. 22, # 6 p. 472 - 476 Khimiko-Farmatsevticheskii Zhurnal, 1988 , vol. 22, # 6 p. 705 - 710
  • Route3
    • In-stock
      Methyl 4-oxobutanoate|CS-0106362
      13865-19-5
    • null|null
      141-43-5
    • ~%
    • In-stock
      1-(2-Hydroxyethyl)pyrrolidin-2-one|CS-W009539
      3445-11-2

    References

    • US4420620 A1, ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   40.54
  • LogP   -0.3989
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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