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CS-W001157 4
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3-Aminocrotononitrile

  • CAS No. 1118-61-2

  • Cat. No. CS-0005803
  • Purity≥96%
  • MDL No.MFCD00008071

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

3-Aminocrotononitrile|CS-0005803

Structure of 1118-61-2

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General Information

  • CAS No. 1118-61-2
  • Cat. No. CS-0005803
  • Purity ≥96%
  • MDL No. MFCD00008071
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₆N₂
  • Molecular Weight 82.10
  • Synonym(s) Diacetonitrile~3-Iminobutyronitrile
  • SMILES N#C/C=C(C)\N

Description

3-Aminocrotononitrile features a conjugated system linking an electron-rich amine to a strongly electron-deficient nitrile group, enabling efficient coupling in heterocyclic synthesis. This bifunctional scaffold integrates readily into diverse molecular architectures under mild conditions, offering high reactivity and stability for use in medicinal chemistry and materials development.

Application

3-Aminocrotononitrile serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted pyrroles and other nitrogen-containing heterocycles via condensation and cyclization reactions. Its conjugated diene system and dual functional groups—amine and nitrile—offer high reactivity in standard coupling protocols, with good bench stability and straightforward purification. Functions effectively in multi-step syntheses for medicinal chemistry and agrochemical scaffolds.

Synthesis

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      3-Aminocrotononitrile|CS-0005803
      1118-61-2

    References

    • Journal fuer Praktische Chemie (Leipzig), , vol. <2> 39, p. 239
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      3-Aminocrotononitrile|CS-0005803
      1118-61-2

    References

    • Journal of Organometallic Chemistry, , vol. 9, p. 125 - 134
  • Route3
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      5-Methylisoxazole|CS-0085310
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    • ~%
    • In-stock
      3-Aminocrotononitrile|CS-0005803
      1118-61-2

    References

    • Chemische Berichte, , vol. 42, p. 67

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302-H311-H317
Precautionary Statements : P261-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   49.81
  • LogP   0.37248
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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