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CS-W001157 4
Total: USD 88.00

2-(2-Bromophenyl)-2-methylpropanenitrile

  • CAS No. 57775-06-1

  • Cat. No. CS-0060864
  • Purity≥98%
  • MDL No.MFCD11036582
  • HazMat Fee +

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    Type
    HazMat Fee
    Excepted Quantity $0.00
    FedEx Limited Quantities Ground $0.00
    Hazmat Ground shipping $50.00+
    Inaccessible (Haz class 6.1 or 9), Domestic $68.00+
    Accessible (Haz class 3, 4, 5 or 8), Domestic $158.00+
    Inaccessible (Haz class 6.1 or 9), International $108.00+
    Accessible (Haz class 3, 4, 5 or 8), International $238.00+

    An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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

2-(2-Bromophenyl)-2-methylpropanenitrile|CS-0060864

Structure of 57775-06-1

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Description

This nitrile features a sterically hindered quaternary carbon bearing a bromophenyl group, enabling direct functionalization in palladium-catalyzed cross-coupling reactions. The para-bromine facilitates Suzuki-Miyaura and Negishi couplings under standard conditions, while the electron-withdrawing nitrile enhances reactivity at the benzylic position. Bench-stable and moisture-tolerant, it serves as a key intermediate for complex heterocyclic architectures.

Application

2-(2-Bromophenyl)-2-methylpropanenitrile serves as a versatile building block in transition-metal-catalyzed cross-coupling reactions, enabling efficient construction of biaryl scaffolds. The nitrile group provides a handle for downstream functionalization, while the geminal methyl groups enhance stability and facilitate purification. Its bench-stable nature and compatibility with palladium-catalyzed coupling protocols make it a practical choice for synthesizing complex pharmaceutical intermediates and functionalized heterocycles.

General Information

  • CAS No. 57775-06-1
  • Cat. No. CS-0060864
  • Purity ≥98%
  • MDL No. MFCD11036582
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀BrN
  • Molecular Weight None
  • Synonym(s) 2-(2-Bromo-phenyl)-2-methyl-propionitrile
  • SMILES CC(C#N)(C)C=1C(=CC=CC1)Br

Computational Chemistry Data

  • TPSA   23.79
  • LogP   3.25028
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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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