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CS-W001157 4
Total: USD 88.00

5-Bromovaleronitrile

  • CAS No. 5414-21-1

  • Cat. No. CS-D1429
  • Purity≥98%
  • MDL No.MFCD00001976

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

5-Bromovaleronitrile|CS-D1429

Structure of 5414-21-1

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General Information

  • CAS No. 5414-21-1
  • Cat. No. CS-D1429
  • Purity ≥98%
  • MDL No. MFCD00001976
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₈BrN
  • Molecular Weight 162.03
  • Synonym(s) None
  • SMILES N#CCCCCBr

Description

Palmitic acid is a saturated fatty acid with a terminal carboxylic acid. The carboxylic acid can react with primary amine groups in the presence of activators such as HATU.

Application

5-Bromovaleronitrile serves as a versatile bifunctional building block in synthetic organic chemistry, enabling efficient access to γ- and δ-functionalized aliphatic chains. The nitrile group facilitates nucleophilic additions and transformations into carboxylic acids or amides, while the terminal bromide supports palladium-catalyzed cross-coupling reactions such as Suzuki-Miyaura and Stille couplings. Its bench-stable nature and compatibility with diverse reaction conditions make it ideal for constructing complex molecular architectures in medicinal chemistry and process development workflows.

Synthesis

  • Route1
    • null|null
      110-52-1
    • null|null
      151-50-8
    • ~79%
    • In-stock
      5-Bromovaleronitrile|CS-D1429
      5414-21-1

    References

    • Moretto; Zhang; Maryanoff Journal of the American Chemical Society, 2001 , vol. 123, # 13 p. 3157 - 3158
  • Route2
    • null|null
      110-52-1
    • null|null
      143-33-9
    • ~81%
    • In-stock
      5-Bromovaleronitrile|CS-D1429
      5414-21-1

    References

    • Chen, Fen-Er; Yuan, Jian-Li; Dai, Hui-Fang; Kuang, Yun-Yan; Chu, Yong Synthesis, 2003 , # 14 p. 2155 - 2160
  • Route3
    • null|null
      61862-52-0
    • ~%
    • In-stock
      5-Bromovaleronitrile|CS-D1429
      5414-21-1

    References

    • Acta Chimica Academiae Scientiarum Hungaricae, , vol. 14, p. 333,335

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3276
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302-H312-H315-H319-H331-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.07518
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   3

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