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CS-W001157 4
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N-Methyl-3-methoxybenzylamine

  • CAS No. 41789-95-1

  • Cat. No. CS-D0558
  • Purity≥95%
  • MDL No.MFCD04618244

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

N-Methyl-3-methoxybenzylamine|CS-D0558

Structure of 41789-95-1

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General Information

  • CAS No. 41789-95-1
  • Cat. No. CS-D0558
  • Purity ≥95%
  • MDL No. MFCD04618244
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₃NO
  • Molecular Weight 151.21
  • Synonym(s) N-(3-Methoxybenzyl)-N-Methylamine
  • SMILES CNCC1=CC(OC)=CC=C1

Description

N-Methyl-3-methoxybenzylamine features a benzylamine scaffold with a methoxy group at the meta position and a methyl substituent on the nitrogen. This electron-rich amine integrates readily into bioactive molecule scaffolds, offering enhanced solubility and metabolic stability in medicinal chemistry applications.

Application

N-Methyl-3-methoxybenzylamine serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and peptide derivatives. Its benzylic amine functionality exhibits favorable reactivity in alkylation, acylation, and reductive amination processes. The ortho-methoxy substituent enhances solubility and modulates electronic properties, while the N-methyl group improves metabolic stability. This compound demonstrates bench-stable handling and compatibility with standard purification techniques, facilitating integration into multi-step synthetic sequences for drug discovery applications.

Synthesis

  • Route1
    • null|null
      16928-30-6
    • ~99%
    • In-stock
      N-Methyl-3-methoxybenzylamine|CS-D0558
      41789-95-1

    References

    • Piazzi, Lorna; Belluti, Federica; Bisi, Alessandra; Gobbi, Silvia; Rizzo, Stefano; Bartolini, Manuela; Andrisano, Vincenza; Recanatini, Maurizio; Rampa, Angela Bioorganic and Medicinal Chemistry, 2007 , vol. 15, # 1 p. 575 - 585
  • Route2
    • In-stock
      m-Anisaldehyde|CS-W007346
      591-31-1
    • null|null
      74-89-5
    • ~99%
    • In-stock
      N-Methyl-3-methoxybenzylamine|CS-D0558
      41789-95-1

    References

    • ALBANY MOLECULAR RESEARCH, INC. Patent: WO2010/132437 A1, 2010 ; Location in patent: Page/Page column 74; 101-102 ; WO 2010/132437 A1
  • Route3

    References

    • Yin, Yan; Lin, Li; Ruiz, Claudia; Khan, Susan; Cameron, Michael D.; Grant, Wayne; Pocas, Jennifer; Eid, Nibal; Park, Hajeung; Schroeter, Thomas; Lograsso, Philip V.; Feng, Yangbo Journal of Medicinal Chemistry, 2013 , vol. 56, # 9 p. 3568 - 3581

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 2735
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H317-H318
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   21.26
  • LogP   1.4146
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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