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CS-W001157 4
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5-Methoxy-2-methylaniline

  • CAS No. 50868-72-9

  • Cat. No. CS-W007983
  • Purity≥97%
  • MDL No.MFCD00075057

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

5-Methoxy-2-methylaniline|CS-W007983

Structure of 50868-72-9

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General Information

  • CAS No. 50868-72-9
  • Cat. No. CS-W007983
  • Purity ≥97%
  • MDL No. MFCD00075057
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁NO
  • Molecular Weight 137.18
  • Synonym(s) 6-Methyl-m-anisidine
  • SMILES C1=C(C=CC(=C1N)C)OC

Description

5-Methoxy-2-methylaniline features a methoxy group at the 5-position and a methyl substituent at the 2-position, conferring enhanced electron density and steric bulk. This combination improves solubility in organic solvents and stabilizes reactive intermediates during coupling reactions. The molecule serves as a selective nucleophile in transition metal-catalyzed transformations and integrates readily into complex heterocyclic scaffolds under mild conditions.

Application

5-Methoxy-2-methylaniline serves as a versatile building block in medicinal chemistry, enabling the construction of substituted anilines and heterocyclic scaffolds. Its ortho-methyl and para-methoxy substituents provide favorable electronic effects and steric positioning, enhancing reactivity in coupling reactions and facilitating downstream functionalization. The compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for iterative synthesis workflows in API development.

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-H312-H315-H319-H332-H335
Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P304+P341-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P363-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   35.25
  • LogP   1.58582
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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