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CS-W001157 4
Total: USD 88.00

1,3-Dihydroisobenzofuran-5-amine

  • CAS No. 61964-08-7

  • Cat. No. CS-W021280
  • Purity≥97%
  • MDL No.MFCD05864561

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

1,3-Dihydroisobenzofuran-5-amine|CS-W021280

Structure of 61964-08-7

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General Information

  • CAS No. 61964-08-7
  • Cat. No. CS-W021280
  • Purity ≥97%
  • MDL No. MFCD05864561
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO
  • Molecular Weight 135.16
  • Synonym(s) biphenyl-3,4-dicarbonitrile
  • SMILES NC1=CC2=C(COC2)C=C1

Description

1,3-Dihydroisobenzofuran-5-amine features a fused bicyclic scaffold with a primary amine at the 5-position, delivering a rigid, electron-rich platform ideal for constructing bioactive heterocycles. This bench-stable derivative integrates readily into medicinal chemistry campaigns targeting CNS agents and kinase modulators.

Application

1,3-Dihydroisobenzofuran-5-amine serves as a versatile scaffold for medicinal chemistry and synthetic organic applications, offering a rigid, planar structure with an amine-functionalized aromatic system. Its stability under standard reaction conditions enables reliable use in Suzuki-Miyaura couplings, Buchwald-Hartwig aminations, and heterocycle elaboration. The compound functions as a key building block for bioactive molecules and API intermediates, particularly in CNS-targeted drug discovery.

Synthesis

  • Route1

    References

    • WO2005/37796 A1, ; Page/Page column 174 ;
  • Route2

    References

    • US4144341 A1, ;

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   35.25
  • LogP   1.299
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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