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CS-W001157 4
Total: USD 88.00

1,3-Dichloroisoquinoline

  • CAS No. 7742-73-6

  • Cat. No. CS-W002162
  • Purity≥98%
  • MDL No.MFCD00034750

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

1,3-Dichloroisoquinoline|CS-W002162

Structure of 7742-73-6

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General Information

  • CAS No. 7742-73-6
  • Cat. No. CS-W002162
  • Purity ≥98%
  • MDL No. MFCD00034750
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅Cl₂N
  • Molecular Weight 198.05
  • Synonym(s) None
  • SMILES ClC1=NC(Cl)=CC2=CC=CC=C21

Description

1,3-Dichloroisoquinoline undergoes Pd(PPh3)4 catalyzed regioselective coupling with arylboronic acids to afford to 1-aryl-3-chloroisoquinolines. Reaction of amine with 1,3-dichloroisoquinoline has been studied. Regioselectivity of the Stille coupling reaction of (1-ethoxyvinyl)tri(n-butyl)stannane with 1,3-dichloroisoquinoline has been investigated.1,3-Dichloroisoquinoline may be used in the facile synthesis of 1,3,4-trisubstituted isoquinoline derivatives.

Synthesis

  • Route1

    References

    • Lee, Chih-Hung; Bayburt, Erol K.; DiDomenico, Stanley; Drizin, Irene; Gomtsyan, Arthur R.; Koenig, John R.; Perner, Richard J.; Schmidt, Robert G.; Turner, Sean C.; Jinkerson, Tammie K.; Zheng, Guo Zhu Patent: US2005/113576 A1, 2005 ; Location in patent: Page/Page column 30 ; US 20050113576 A1
  • Route2
    • 2-(Cyanomethyl)benzoic acid|CS-0206462
      6627-91-4
    • ~82%
    • In-stock
      1,3-Dichloroisoquinoline|CS-W002162
      7742-73-6

    References

    • Mackewitz, Thomas; Volland, Martin; Paciello, Rocco; Schafer, Ansgar; Breit, Bernhard; Seiche, Wolfgang Patent: US2004/199024 A1, 2004 ; Location in patent: Page 19 ;
  • Route3
    • null|null
      824-72-6
    • In-stock
      Isoquinoline-1,3(2H,4H)-dione|CS-W006004
      4456-77-3
    • ~%
    • In-stock
      1,3-Dichloroisoquinoline|CS-W002162
      7742-73-6

    References

    • US2004/157849 A1, ; US 20040157849 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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   12.89
  • LogP   3.5416
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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