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CS-W001157 4
Total: USD 88.00

4-Amino-3-fluorobenzonitrile

  • CAS No. 63069-50-1

  • Cat. No. CS-W017763
  • Purity≥97%
  • MDL No.MFCD00055559

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

4-Amino-3-fluorobenzonitrile|CS-W017763

Structure of 63069-50-1

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General Information

  • CAS No. 63069-50-1
  • Cat. No. CS-W017763
  • Purity ≥97%
  • MDL No. MFCD00055559
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅FN₂
  • Molecular Weight 136.13
  • Synonym(s) 4-Cyano-2-fluoroaniline
  • SMILES C1=C(C=CC(=C1F)N)C#N

Description

4-Amino-3-fluorobenzonitrile features a strategically positioned amino group flanked by fluorine and nitrile functionalities, enabling direct incorporation into pharmaceutical intermediates. This electron-deficient aryl scaffold supports diverse coupling reactions under standard conditions, offering high stability and predictable reactivity in synthetic workflows.

Application

4-Amino-3-fluorobenzonitrile serves as a versatile building block in medicinal chemistry, enabling the synthesis of fluorinated aromatic scaffolds via standard coupling reactions. Its amino and nitrile groups offer orthogonal reactivity for sequential functionalization, while the fluorine substituent enhances metabolic stability and modulates electronic properties. The compound exhibits good bench stability and is readily purified by crystallization, facilitating integration into multi-step synthetic sequences for API development.

Synthesis

  • Route1
    • In-stock
      2-Fluoro-4-iodoaniline|CS-W002069
      29632-74-4
    • null|null
      544-92-3
    • ~86%
    • In-stock
      4-Amino-3-fluorobenzonitrile|CS-W017763
      63069-50-1

    References

    • AMOREPACIFIC CORPORATION Patent: WO2007/120012 A1, 2007 ; Location in patent: Page/Page column 82-83; 129 ; WO 2007/120012 A1
  • Route2
    • In-stock
      2-Fluoro-4-iodoaniline|CS-W002069
      29632-74-4
    • null|null
      557-21-1
    • ~80%
    • In-stock
      4-Amino-3-fluorobenzonitrile|CS-W017763
      63069-50-1

    References

    • Suh, Young-Ger; Lee, Yong-Sil; Min, Kyung-Hoon; Park, Ok-Hui; Kim, Jin-Kwan; Seung, Ho-Sun; Seo, Seung-Yong; Lee, Bo-Young; Nam, Yeon-Hee; Lee, Kwang-Ok; Kim, Hee-Doo; Park, Hyeung-Geun; Lee, Jeewoo; Oh, Uhtaek; Lim, Ju-Ok; Kang, Sang-Uk; Kil, Min-Jung; Koo, Jae-Yeon; Shin, Song Seok; Joo, Yung-Hyup; Kim, Jin Kwan; Jeong, Yeon-Su; Kim, Sun-Young; Park, Young-Ho Journal of Medicinal Chemistry, 2005 , vol. 48, # 18 p. 5823 - 5836
  • Route3

    References

    • US5200110 A1, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H312+H332-H315-H319-H331-H335
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   49.81
  • LogP   1.27958
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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