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CS-W001157 4
Total: USD 88.00

3,5-Dichlorobenzylamine

  • CAS No. 39989-43-0

  • Cat. No. CS-W007913
  • Molecule weight176.04
  • Purity≥95%
  • MDL No.MFCD00052681

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

3,5-Dichlorobenzylamine|CS-W007913

Structure of 39989-43-0

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General Information

  • CAS No. 39989-43-0
  • Cat. No. CS-W007913
  • Purity ≥95%
  • MDL No. MFCD00052681
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇Cl₂N
  • Molecular Weight 176.04
  • Synonym(s) Benzenemethanamine, 3,5-dichloro-
  • SMILES C1=C(C=C(C=C1Cl)Cl)CN

Description

3,5-Dichlorobenzylamine features a benzylamine scaffold substituted with chlorine atoms at the 3 and 5 positions, delivering enhanced electron-withdrawing character and improved metabolic stability. This configuration supports efficient coupling in amide bond formation and facilitates incorporation into bioactive scaffolds requiring halogenated aromatic moieties.

Application

3,5-Dichlorobenzylamine serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its ortho-dichloro substitution enhances metabolic stability and modulates lipophilicity, while the primary amine functionality facilitates straightforward derivatization via amidation, alkylation, and reductive amination. The compound exhibits good bench stability and is compatible with standard purification techniques, making it well-suited for scale-up and routine synthetic workflows.

Synthesis

  • Route1
    • 3,5-Dichlorobenzaldehyde oxime|CS-0759969
      93033-57-9
    • ~%
    • In-stock
      3,5-Dichlorobenzylamine|CS-W007913
      39989-43-0

    References

    • Meindl; Von Angerer; Schonenberger; Ruckdeschel Journal of Medicinal Chemistry, 1984 , vol. 27, # 9 p. 1111 - 1118
  • Route2
    • 3,5-Dichlorobenzaldehyde Ixazomib  Impurity|CS-0228768
      10203-08-4
    • null|null
      540-69-2
    • ~%
    • In-stock
      3,5-Dichlorobenzylamine|CS-W007913
      39989-43-0

    References

    • Sharadamma et al. Journal of the Karnatak University, 1957 , vol. 2, p. 19,26

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 2735
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-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   26.02
  • LogP   2.4521
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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