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CS-W001157 4
Total: USD 88.00

2-(4-Bromo-3-methoxyphenyl)acetonitrile

  • CAS No. 113081-50-8

  • Cat. No. CS-0202569
  • Purity≥98%
  • MDL No.None

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

2-(4-Bromo-3-methoxyphenyl)acetonitrile|CS-0202569

Structure of 113081-50-8

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General Information

  • CAS No. 113081-50-8
  • Cat. No. CS-0202569
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈BrNO
  • Molecular Weight 226.07
  • Synonym(s) (4-Bromo-3-methoxyphenyl)acetonitrile
  • SMILES N#CCC1=CC=C(Br)C(OC)=C1

Description

2-(4-Bromo-3-methoxyphenyl)acetonitrile features a brominated aromatic ring flanked by a methoxy group and a nitrile-bearing side chain, enabling selective coupling in cross-coupling reactions. This bench-stable intermediate integrates readily into pharmaceutical synthesis workflows under standard conditions.

Application

2-(4-Bromo-3-methoxyphenyl)acetonitrile serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its bromo and nitrile functionalities. The methoxy group enhances solubility and modulates electronic properties, while the acetonitrile moiety provides a handle for further functionalization. Bench-stable and amenable to standard purification techniques, it facilitates efficient synthesis of biaryl and heterocyclic scaffolds relevant to pharmaceutical development.

Safety Information

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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   33.02
  • LogP   2.52378
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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