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CS-W001157 4
Total: USD 88.00

4-Iodo-2,6-dimethylaniline

  • CAS No. 4102-53-8

  • Cat. No. CS-M3088
  • Purity≥98%
  • MDL No.MFCD08061611

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

4-Iodo-2,6-dimethylaniline|CS-M3088

Structure of 4102-53-8

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General Information

  • CAS No. 4102-53-8
  • Cat. No. CS-M3088
  • Purity ≥98%
  • MDL No. MFCD08061611
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀IN
  • Molecular Weight 247.08
  • Synonym(s) 4-iod-2,6-dimethylanilin
  • SMILES IC1=CC(C)=C(N)C(C)=C1

Description

4-Iodo-2,6-dimethylaniline features a sterically hindered aromatic core with electron-donating methyl groups flanking a reactive iodo substituent. This configuration enhances stability and directs regioselective coupling in cross-coupling reactions. The compound serves as a robust building block for pharmaceutical intermediates and functional materials, offering predictable reactivity under standard conditions.

Application

4-Iodo-2,6-dimethylaniline serves as a valuable building block in the synthesis of functionalized heterocycles and pharmaceutical intermediates. Its ortho-dimethyl substitution enhances stability and modulates reactivity, while the iodine handle enables reliable Suzuki-Miyaura and Stille coupling reactions. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for iterative synthetic workflows in medicinal chemistry and process 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   26.02
  • LogP   2.49024
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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