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CS-W001157 4
Total: USD 88.00

Butyl 2-cyanoacetate

  • CAS No. 5459-58-5

  • Cat. No. CS-W016439
  • Purity≥98%
  • MDL No.MFCD00001941

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

Butyl 2-cyanoacetate|CS-W016439

Structure of 5459-58-5

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General Information

  • CAS No. 5459-58-5
  • Cat. No. CS-W016439
  • Purity ≥98%
  • MDL No. MFCD00001941
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₁NO₂
  • Molecular Weight 141.17
  • Synonym(s) cyano-aceticacibutylester
  • SMILES O=C(OCCCC)CC#N

Description

tert-Butyl cyanoacetate undergoes alkylation with many substituted benzyl and heteroalyl alcohols to form the corressponding alpha-alkylated products.

Synthesis

  • Route1
    • null|null
      372-09-8
    • null|null
      71-36-3
    • ~96%
    • In-stock
      Butyl 2-cyanoacetate|CS-W016439
      5459-58-5

    References

    • Dawar, Pankaj; Raju, M. Bagavan; Ramakrishna, Ramesha Andagar Synthetic Communications, 2014 , vol. 44, # 6 p. 836 - 846
  • Route2
    • null|null
      372-09-8
    • ~76%
    • In-stock
      Butyl 2-cyanoacetate|CS-W016439
      5459-58-5

    References

    • Bolduc, Andreanne; Al Ouahabi, Abelaziz; Mallet, Charlotte; Skene Journal of Organic Chemistry, 2013 , vol. 78, # 18 p. 9258 - 9269
  • Route3
    • null|null
      109-77-3
    • null|null
      71-36-3
    • ~73%
    • In-stock
      Butyl 2-cyanoacetate|CS-W016439
      5459-58-5
    • In-stock
      malonic acid dibutyl ester|CS-0152097
      1190-39-2

    References

    • Synthetic Communications, , vol. 33, # 19 p. 3461 - 3466

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H312+H332-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   50.09
  • LogP   1.24338
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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