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CS-W001157 4
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4-Iodo-2-methylbenzoicacid

  • CAS No. 133232-58-3

  • Cat. No. CS-0130312
  • Purity≥95%
  • MDL No.MFCD14698511

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

4-Iodo-2-methylbenzoicacid|CS-0130312

Structure of 133232-58-3

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General Information

  • CAS No. 133232-58-3
  • Cat. No. CS-0130312
  • Purity ≥95%
  • MDL No. MFCD14698511
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇IO₂
  • Molecular Weight 262.04
  • Synonym(s) 4-iodo-2-Methylbenzoic acid
  • SMILES O=C(C1=CC=C(C=C1C)I)O

Description

4-Iodo-2-methylbenzoic acid features a sterically hindered ortho-methyl group paired with a para-iodo substituent, enhancing its utility in palladium-catalyzed cross-coupling reactions. The carboxylic acid moiety enables direct derivatization, while the iodine handle facilitates efficient functionalization under standard conditions.

Application

4-Iodo-2-methylbenzoic acid serves as a versatile building block in cross-coupling reactions, enabling efficient C–C bond formation via palladium-catalyzed methodologies. Its iodine handle provides high reactivity in Suzuki, Stille, and Negishi couplings, while the carboxylic acid and methyl groups offer orthogonal functionalization potential. The compound exhibits excellent bench stability and is readily purified by recrystallization, making it ideal for iterative synthesis of complex pharmaceutical intermediates and heterocyclic scaffolds.

Safety Information

Download SDS
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   37.3
  • LogP   2.29782
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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