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CS-W001157 4
Total: USD 88.00

3-(Trifluoromethyl)benzene-1,2-diamine

  • CAS No. 360-60-1

  • Cat. No. CS-0043721
  • Purity≥97%
  • MDL No.MFCD08532495

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

3-(Trifluoromethyl)benzene-1,2-diamine|CS-0043721

Structure of 360-60-1

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General Information

  • CAS No. 360-60-1
  • Cat. No. CS-0043721
  • Purity ≥97%
  • MDL No. MFCD08532495
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇F₃N₂
  • Molecular Weight 176.14
  • Synonym(s) 2,3-Diaminobenzotrifluoride
  • SMILES NC1=CC=CC(C(F)(F)F)=C1N

Description

3-(Trifluoromethyl)benzene-1,2-diamine features a trifluoromethyl group positioned ortho to one amino functionality, enhancing electron-withdrawal and metabolic stability. This aromatic diamine integrates readily into functionalized scaffolds for pharmaceutical intermediates, leveraging its dual amine handles for conjugation under mild conditions.

Application

3-(Trifluoromethyl)benzene-1,2-diamine serves as a versatile building block for heterocyclic synthesis, enabling the construction of bioactive scaffolds via cyclization with electrophiles. Its ortho-diamine motif facilitates metal-catalyzed coupling reactions and supports robust functional group tolerance. The trifluoromethyl group enhances metabolic stability and lipophilicity, offering favorable physicochemical properties for medicinal chemistry applications. The compound exhibits good bench stability and simplifies purification in standard synthetic workflows.

Synthesis

  • Route1
    • 2-Nitro-3-(trifluoromethyl)aniline|CS-0097439
      386-71-0
    • ~75%
    • In-stock
      3-(Trifluoromethyl)benzene-1,2-diamine|CS-0043721
      360-60-1

    References

    • WO2010/115736 A2, ; Page/Page column 102 ; WO 2010/115736 A2
  • Route2
    • 2-Nitro-6-(trifluoromethyl)aniline|CS-W015341
      24821-17-8
    • ~%
    • In-stock
      3-(Trifluoromethyl)benzene-1,2-diamine|CS-0043721
      360-60-1

    References

    • J. Gen. Chem. USSR (Engl. Transl.), , vol. 39, # 9 p. 2053 - 2056,2007 - 2010
  • Route3

    References

    • J. Gen. Chem. USSR (Engl. Transl.), , vol. 39, # 9 p. 2053 - 2056,2007 - 2010

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   52.04
  • LogP   1.8698
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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