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CS-W001157 4
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N1-Methylbenzene-1,3-diamine

  • CAS No. 50617-73-7

  • Cat. No. CS-0019198
  • Purity≥97%
  • MDL No.MFCD11132708

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

N1-Methylbenzene-1,3-diamine|CS-0019198

Structure of 50617-73-7

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General Information

  • CAS No. 50617-73-7
  • Cat. No. CS-0019198
  • Purity ≥97%
  • MDL No. MFCD11132708
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀N₂
  • Molecular Weight 122.17
  • Synonym(s) N-Methyl-m-phenylenediamine
  • SMILES NC1=CC(NC)=CC=C1

Description

N1-Methylbenzene-1,3-diamine features a methylated primary amine and an unmodified secondary amine on a 1,3-diaminobenzene scaffold, enabling selective conjugation in bioconjugation workflows. This substitution pattern enhances solubility and modulates electronic properties for tailored reactivity in synthetic intermediates.

Application

N1-Methylbenzene-1,3-diamine serves as a versatile building block in medicinal chemistry and materials science, enabling the synthesis of heterocyclic scaffolds via cyclization reactions. Its ortho-diamine functionality facilitates metal-catalyzed cross-couplings and oxidative coupling processes, while the methylated amine group enhances solubility and modulates electronic properties. Bench-stable and readily purified by standard techniques, it functions effectively in multi-step syntheses requiring functional group tolerance and predictable reactivity.

Synthesis

  • Route1

    References

    • Lundgren, Rylan J.; Peters, Brendan D.; Alsabeh, Pamela G.; Stradiotto, Mark Angewandte Chemie - International Edition, 2010 , vol. 49, # 24 p. 4071 - 4074
  • Route2
    • null|null
      108-45-2
    • null|null
      616-38-6
    • ~90%
    • In-stock
      N1-Methylbenzene-1,3-diamine|CS-0019198
      50617-73-7

    References

    • Ebenezer, Warren J.; Hutchings, Michael G.; Jones, Ken; Lambert, David A.; Watt, Ian Tetrahedron Letters, 2007 , vol. 48, # 9 p. 1641 - 1643
  • Route3

    References

    • King; Acheson; Yorke-Long Journal of the Chemical Society, 1948 , p. 1926,1930

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   38.05
  • LogP   1.3105
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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