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CS-W001157 4
Total: USD 88.00

Methyl 4-nitrobutanoate

  • CAS No. 13013-02-0

  • Cat. No. CS-0039131
  • Purity≥98%
  • MDL No.MFCD00007408

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

Methyl 4-nitrobutanoate|CS-0039131

Structure of 13013-02-0

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General Information

  • CAS No. 13013-02-0
  • Cat. No. CS-0039131
  • Purity ≥98%
  • MDL No. MFCD00007408
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₉NO₄
  • Molecular Weight 147.13
  • Synonym(s) Methyl 4-nitrobutyrate
  • SMILES COC(=O)CCC[N+](=O)[O-]

Description

The reaction of methyl 4-nitrobutyrate with aldehydes, following the enantioselective Henry addition, was studied.

Synthesis

  • Route1
    • null|null
      75-52-5
    • null|null
      292638-85-8
    • ~70%
    • In-stock
      Methyl 4-nitrobutanoate|CS-0039131
      13013-02-0
    • 1,7-Dimethyl 4-nitroheptanedioate|CS-0758357
      7766-83-8

    References

    • Molecules, , vol. 14, # 4 p. 1595 - 1604
  • Route2
    • null|null
      75-52-5
    • null|null
      292638-85-8
    • ~96%
    • In-stock
      Methyl 4-nitrobutanoate|CS-0039131
      13013-02-0

    References

    • Simoni, Daniele; Rondanin, Riccardo; Morini, Massimo; Baruchello, Riccardo; Invidiata, Francesco Paolo Tetrahedron Letters, 2000 , vol. 41, # 10 p. 1607 - 1610
  • Route3
    • null|null
      75-52-5
    • In-stock
      Methyl 3-bromopropanoate|CS-W008728
      3395-91-3
    • ~29%
    • In-stock
      Methyl 4-nitrobutanoate|CS-0039131
      13013-02-0

    References

    • Dawadi, Prativa B. S.; Schulten, Els A. M.; Lugtenburg, Johan Journal of Labelled Compounds and Radiopharmaceuticals, 2009 , vol. 52, # 9 p. 341 - 349

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 : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   0.2163
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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