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CS-W001157 4
Total: USD 88.00

2-(1-Methylethenyl)benzenamine

  • CAS No. 52562-19-3

  • Cat. No. CS-W023060
  • Purity≥97%
  • MDL No.MFCD00007719

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

2-(1-Methylethenyl)benzenamine|CS-W023060

Structure of 52562-19-3

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General Information

  • CAS No. 52562-19-3
  • Cat. No. CS-W023060
  • Purity ≥97%
  • MDL No. MFCD00007719
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁N
  • Molecular Weight 133.19
  • Synonym(s) 2-Isopropenylaniline
  • SMILES NC1=CC=CC=C1C(C)=C

Description

2-(1-Methylethenyl)benzenamine features a vinyl-substituted phenyl ring directly conjugated to a primary amine group, delivering enhanced electron density for nucleophilic reactions. This structure supports efficient coupling in cross-coupling protocols and facilitates incorporation into functionalized aromatic frameworks under mild conditions.

Application

2-(1-Methylethenyl)benzenamine serves as a versatile arylamine building block for the synthesis of heterocyclic scaffolds and functionalized arenes. Its pendant vinyl group enables facile Diels-Alder cycloadditions, conjugate additions, and palladium-catalyzed coupling reactions. The molecule exhibits good bench stability and compatibility with common protecting groups, facilitating straightforward purification and integration into multi-step synthetic sequences.

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 : H227-H315-H319-H335
Precautionary Statements : P210-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P403-P405-P501

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.3019
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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