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CS-W001157 4
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3-Chloro-N-methylbenzylamine

  • CAS No. 39191-07-6

  • Cat. No. CS-0030402
  • Molecule weight155.62
  • Purity≥97%
  • MDL No.MFCD00045194

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

3-Chloro-N-methylbenzylamine|CS-0030402

Structure of 39191-07-6

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General Information

  • CAS No. 39191-07-6
  • Cat. No. CS-0030402
  • Purity ≥97%
  • MDL No. MFCD00045194
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀ClN
  • Molecular Weight 155.62
  • Synonym(s) (3-Chlorophenyl)-N-Methylmethanaminium
  • SMILES CNCC1=CC=CC(Cl)=C1

Description

3-Chloro-N-methylbenzylamine is a bench-stable, moisture-tolerant amine featuring a chlorinated aromatic ring and a tertiary methylamino group. This combination imparts enhanced electron density at the benzylic position, facilitating efficient coupling reactions in synthetic medicinal chemistry. The compound integrates readily into bioactive scaffolds requiring halogenated aryl linkages.

Application

3-Chloro-N-methylbenzylamine serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles and pharmaceutical intermediates. Its ortho-chloro substituent provides a handle for subsequent cross-coupling reactions, while the N-methylbenzylamine moiety offers enhanced metabolic stability and favorable lipophilicity. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for scalable synthesis workflows.

Synthesis

  • Route1
    • null|null
      90434-25-6
    • ~99%
    • In-stock
      3-Chloro-N-methylbenzylamine|CS-0030402
      39191-07-6

    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
    • null|null
      766-80-3
    • null|null
      74-89-5
    • ~89%
    • In-stock
      3-Chloro-N-methylbenzylamine|CS-0030402
      39191-07-6

    References

    • Singer; Andrews; Guo Journal of Medicinal Chemistry, 1986 , vol. 29, # 1 p. 40 - 44
  • Route3

    References

    • Meindl; Von Angerer; Schonenberger; Ruckdeschel Journal of Medicinal Chemistry, 1984 , vol. 27, # 9 p. 1111 - 1118

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS05,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H302-H315-H318-H412
Precautionary Statements : P210-P233-P240-P241-P242-P243-P264-P270-P273-P280-P302+P352-P330-P362+P364-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   12.03
  • LogP   2.0594
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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