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CS-W001157 4
Total: USD 88.00

1-(4-Iodophenyl)ethanamine

  • CAS No. 90086-41-2

  • Cat. No. CS-W021236
  • Purity≥97%
  • MDL No.MFCD05215387

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

1-(4-Iodophenyl)ethanamine|CS-W021236

Structure of 90086-41-2

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General Information

  • CAS No. 90086-41-2
  • Cat. No. CS-W021236
  • Purity ≥97%
  • MDL No. MFCD05215387
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀IN
  • Molecular Weight 247.08
  • Synonym(s) 1-(4-iodophenyl)ethylamine
  • SMILES CC(N)C1=CC=C(I)C=C1

Description

1-(4-Iodophenyl)ethanamine features a pendant amine group attached to a para-iodinated phenyl ring, enabling direct incorporation into Suzuki-Miyaura coupling workflows. The iodine moiety serves as a high-reactivity handle for palladium-catalyzed cross-coupling, while the ethylamine side chain provides a polar anchor for downstream functionalization. This compound delivers robust reactivity under standard conditions and maintains stability during storage.

Application

1-(4-Iodophenyl)ethanamine serves as a versatile building block in cross-coupling chemistry, enabling efficient access to biaryl scaffolds via Pd-catalyzed reactions. Its iodine handle facilitates reliable Suzuki, Stille, and Negishi couplings, while the pendant amine group offers straightforward derivatization for medicinal chemistry applications. The compound exhibits good bench stability and is readily purified by distillation or recrystallization, making it well-suited for scalable synthesis and process development workflows.

Synthesis

  • Route1

    References

    • de Roocker,A.; de Radzitzky,P. Bulletin des Societes Chimiques Belges, 1963 , vol. 72, p. 202 - 207

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3259
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P264-P271-P280-P301+P330+P331-P304+P340-P362+P364-P501

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.3109
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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