Cas no 223595-17-3 ((1R)-5-Bromo-2,3-dihydro-1-methyl-1H-isoindole)

(1R)-5-Bromo-2,3-dihydro-1-methyl-1H-isoindole is a chiral isoindoline derivative featuring a bromine substituent at the 5-position and a methyl group at the 1-position. This compound serves as a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its stereospecific (R)-configuration enhances its utility in asymmetric synthesis, enabling the construction of enantiomerically pure compounds. The bromine moiety offers a reactive site for further functionalization via cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings. The rigid isoindoline scaffold contributes to structural diversity in drug discovery. This compound is typically handled under inert conditions due to its sensitivity to air and moisture.
(1R)-5-Bromo-2,3-dihydro-1-methyl-1H-isoindole structure
223595-17-3 structure
Product Name:(1R)-5-Bromo-2,3-dihydro-1-methyl-1H-isoindole
CAS No:223595-17-3
MF:C9H10BrN
MW:212.086401462555
MDL:MFCD11519124
CID:67064
PubChem ID:53482081
Update Time:2025-05-28

(1R)-5-Bromo-2,3-dihydro-1-methyl-1H-isoindole Chemical and Physical Properties

Names and Identifiers

    • (1R)-5-Bromo-2,3-dihydro-1-methyl-1H-isoindole
    • (1R)-5-bromo-1-methyl-2,3-dihydro-1H-isoindole
    • (R)-5-bromo-1-methylisoindoline
    • 1H-Isoindole,5-bromo-2,3-dihydro-1-methyl-,(1R)
    • (R)-5-Bromo-1-methyl-2,3-dihydro-1H-isoindole
    • 223595-17-3
    • (1R)-5-bromo-1-methyl-2, 3-dihydro-1H-isoindole
    • A4804
    • DTXSID90703871
    • SCHEMBL2898828
    • DTXCID10654619
    • MDL: MFCD11519124
    • Inchi: 1S/C9H10BrN/c1-6-9-3-2-8(10)4-7(9)5-11-6/h2-4,6,11H,5H2,1H3/t6-/m1/s1
    • InChI Key: KTUCROBKAQWWPX-ZCFIWIBFSA-N
    • SMILES: BrC1C=CC2=C(C=1)CN[C@@H]2C

Computed Properties

  • Exact Mass: 211.00000
  • Monoisotopic Mass: 211
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 149
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 12A^2
  • XLogP3: 2

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.407
  • Melting Point: No data available
  • Boiling Point: 261 oC
  • Flash Point: 112 oC
  • Refractive Index: 1.572
  • PSA: 12.03000
  • LogP: 2.94210
  • Vapor Pressure: No data available

(1R)-5-Bromo-2,3-dihydro-1-methyl-1H-isoindole Security Information

(1R)-5-Bromo-2,3-dihydro-1-methyl-1H-isoindole Pricemore >>

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