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CS-W001157 4
Total: USD 88.00

3,4-Dichloro-N-methylaniline

  • CAS No. 40750-59-2

  • Cat. No. CS-0139212
  • Purity≥98%
  • MDL No.MFCD00052850

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

3,4-Dichloro-N-methylaniline|CS-0139212

Structure of 40750-59-2

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General Information

  • CAS No. 40750-59-2
  • Cat. No. CS-0139212
  • Purity ≥98%
  • MDL No. MFCD00052850
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇Cl₂N
  • Molecular Weight 176.04
  • Synonym(s) N-Methyl-3,4-dichloroaniline
  • SMILES CNC1=CC=C(Cl)C(Cl)=C1

Description

3,4-Dichloro-N-methylaniline features a dual chlorination pattern that enhances electron-withdrawing character, enabling selective coupling reactions. The N-methyl group improves solubility and reduces basicity compared to the parent aniline, offering enhanced stability under standard bench conditions. This derivative serves as a key intermediate in pharmaceutical synthesis and functional material development.

Application

3,4-Dichloro-N-methylaniline serves as a valuable building block in medicinal chemistry and agrochemical synthesis, offering enhanced electron-withdrawing character from the dichloro substitution. Its N-methylated amine functionality enables direct use in Suzuki-Miyaura couplings and reductive amination protocols, while maintaining bench stability and ease of purification. The compound functions as a versatile intermediate for constructing substituted aromatic scaffolds with defined electronic profiles.

Synthesis

  • Route1
    • null|null
      95-76-1
    • null|null
      74-88-4
    • ~%
    • In-stock
      3,4-Dichloro-N-methylaniline|CS-0139212
      40750-59-2

    References

    • AMERSHAM BIOSCIENCES AB Patent: WO2004/39765 A1, 2004 ; Location in patent: Page 23-24 ;
  • Route2
    • null|null
      5470-15-5
    • ~91%
    • In-stock
      3,4-Dichloro-N-methylaniline|CS-0139212
      40750-59-2

    References

    • Rosowsky, Andre; Forsch, Ronald A.; Queener, Sherry F. Journal of Medicinal Chemistry, 1995 , vol. 38, # 14 p. 2615 - 2620
  • Route3
    • tert-Butyl (3,4-dichlorophenyl)carbamate|CS-0660855
      25217-40-7
    • ~%
    • In-stock
      3,4-Dichloro-N-methylaniline|CS-0139212
      40750-59-2

    References

    • AMERSHAM BIOSCIENCES AB Patent: WO2004/39765 A1, 2004 ; Location in patent: Page 24 ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   12.03
  • LogP   3.0351
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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