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CS-W001157 4
Total: USD 88.00

tert-Butyl cyanoacetate

  • CAS No. 1116-98-9

  • Cat. No. CS-D1442
  • Purity≥98%
  • MDL No.MFCD00001938

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

tert-Butyl cyanoacetate|CS-D1442

Structure of 1116-98-9

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General Information

  • CAS No. 1116-98-9
  • Cat. No. CS-D1442
  • Purity ≥98%
  • MDL No. MFCD00001938
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₁NO₂
  • Molecular Weight 141.17
  • Synonym(s) Cyanoacetic acid tert-butyl ester; NSC 1072; tert-Butyl 2-cyanoacetate; 2-cyano-3,3-dimethylbutanoate
  • SMILES O=C(OC(C)(C)C)CC#N

Description

tert-Butyl cyanoacetate undergoes functionalization and decarboxylation to form 3-amino-4-alkyl isoquinolines.tert-Butyl cyanoacetate was used in the synthesis of vinylogous urea.

Synthesis

  • Route1
    • null|null
      372-09-8
    • null|null
      75-65-0
    • ~86%
    • In-stock
      tert-Butyl cyanoacetate|CS-D1442
      1116-98-9

    References

    • Zhang, Hongxing; Zheng, Xiuwen; Li, Haiying; Jin, Bin; Wang, Chengyun; Shen, Yongjia; Hua, Jianli Journal of Photochemistry and Photobiology A: Chemistry, 2013 , vol. 272, p. 58 - 64
  • Route2
    • null|null
      5292-43-3
    • null|null
      151-50-8
    • ~%
    • In-stock
      tert-Butyl cyanoacetate|CS-D1442
      1116-98-9

    References

    • Journal of the American Chemical Society, , vol. 64, p. 2274
  • Route3
    • null|null
      372-09-8
    • null|null
      115-11-7
    • ~%
    • In-stock
      tert-Butyl cyanoacetate|CS-D1442
      1116-98-9

    References

    • Bulletin de la Societe Chimique de France, , p. 2985 - 2986

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   50.09
  • LogP   1.24178
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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