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CS-W001157 4
Total: USD 88.00

3-(tert-Butylamino)propionitrile

  • CAS No. 21539-53-7

  • Cat. No. CS-0204940
  • Purity≥97%
  • MDL No.MFCD00045637

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

3-(tert-Butylamino)propionitrile|CS-0204940

Structure of 21539-53-7

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General Information

  • CAS No. 21539-53-7
  • Cat. No. CS-0204940
  • Purity ≥97%
  • MDL No. MFCD00045637
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₄N₂
  • Molecular Weight 126.20
  • Synonym(s) 3-(tert-Butylamino)propionitrilie
  • SMILES N#CCCNC(C)(C)C

Description

3-(tert-Butylamino)propionitrile features a sterically hindered tertiary amine linked to a nitrile-bearing aliphatic chain, enabling stable incorporation into diverse synthetic scaffolds. This bench-stable building block facilitates efficient access to bioactive molecules through nucleophilic addition and coupling reactions under standard conditions.

Application

3-(tert-Butylamino)propionitrile serves as a versatile building block for nitrile-containing scaffolds in medicinal chemistry and materials science. Its tert-butylamino group provides steric bulk and metabolic stability, while the terminal nitrile enables downstream transformations such as hydrolysis to carboxylic acids or reduction to primary amines. The molecule exhibits good bench stability, solubility in common organic solvents, and compatibility with standard functional group manipulations, facilitating efficient synthesis of complex intermediates and API precursors.

Synthesis

  • Route1
    • null|null
      1104196-24-8
    • ~13%
    • In-stock
      3-(tert-Butylamino)propionitrile|CS-0204940
      21539-53-7
    • null|null
      32063-84-6

    References

    • Heterocycles, , vol. 76, # 2 p. 1511 - 1524
  • Route2
    • null|null
      75-64-9
    • null|null
      107-13-1
    • ~87%
    • In-stock
      3-(tert-Butylamino)propionitrile|CS-0204940
      21539-53-7

    References

    • Chahdoura, Faouzi; Pradel, Christian; Gomez, Montserrat Advanced Synthesis and Catalysis, 2013 , vol. 355, # 18 p. 3648 - 3660
  • Route3
    • null|null
      75-64-9
    • null|null
      107-13-1
    • ~%
    • In-stock
      3-(tert-Butylamino)propionitrile|CS-0204940
      21539-53-7
    • null|null
      99190-38-2

    References

    • Journal of the American Chemical Society, , vol. 78, p. 4042

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   35.82
  • LogP   1.28818
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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