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CS-W001157 4
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4-(Aminomethyl)-3-fluorobenzonitrile

  • CAS No. 701264-00-8

  • Cat. No. CS-0139157
  • Molecule weight150.15
  • Purity≥95%
  • MDL No.None

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

4-(Aminomethyl)-3-fluorobenzonitrile|CS-0139157

Structure of 701264-00-8

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General Information

  • CAS No. 701264-00-8
  • Cat. No. CS-0139157
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇FN₂
  • Molecular Weight 150.15
  • Synonym(s) Benzonitrile, 4-(aminomethyl)-3-fluoro- (9CI)
  • SMILES N#CC1=CC=C(CN)C(F)=C1

Description

4-(Aminomethyl)-3-fluorobenzonitrile features a fluorinated aromatic ring paired with a nitrile group and a primary amine at the benzylic position, enabling direct conjugation in bioconjugation workflows. The electron-deficient benzene core enhances reactivity in nucleophilic substitution, while the pendant amine facilitates derivatization under mild conditions. This scaffold integrates efficiently into probe design for targeted labeling and is stable under standard bench protocols.

Application

4-(Aminomethyl)-3-fluorobenzonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to fluorinated aromatic scaffolds. The nitrile group facilitates downstream transformations such as amide formation or reduction to primary amines, while the ortho-fluoro substituent supports directed metallation and electrophilic substitution. Its bench-stable nature and compatibility with common coupling reactions make it well-suited for modular synthesis of bioactive compounds and API intermediates.

Synthesis

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    • In-stock
      4-(Aminomethyl)-3-fluorobenzonitrile|CS-0139157
      701264-00-8

    References

    • F. HOFFMANN-LA ROCHE AG Patent: WO2004/48335 A2, 2004 ; Location in patent: Page 64 ; WO 2004/048335 A2
  • Route2
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    • In-stock
      4-(Aminomethyl)-3-fluorobenzonitrile|CS-0139157
      701264-00-8

    References

    • ASTRAZENECA AB Patent: WO2007/69986 A1, 2007 ; Location in patent: Page/Page column 74-75 ; WO 2007/069986 A1

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

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Computational Chemistry Data

  • TPSA   49.81
  • LogP   1.15608
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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