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3-(3,4-Dihydroisoquinolin-2(1H)-yl)propan-1-ol

  • CAS No. 86368-07-2

  • Cat. No. CS-0547399
  • Molecule weight191.27
  • Purity≥98%
  • MDL No.None

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

3-(3,4-Dihydroisoquinolin-2(1H)-yl)propan-1-ol|CS-0547399

Structure of 86368-07-2

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General Information

  • CAS No. 86368-07-2
  • Cat. No. CS-0547399
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₇NO
  • Molecular Weight 191.27
  • Synonym(s) 5-(2-FLUORO-PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID
  • SMILES C1CN(CC2=CC=CC=C21)CCCO

Synthesis

  • Route1
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      767621-94-3
    • ~%
    • 3-(3,4-Dihydroisoquinolin-2(1H)-yl)propan-1-ol|CS-0547399
      86368-07-2

    References

    • Mathis, Cheryl L.; Gist, Brandi M.; Frederickson, Conerd K.; Midkiff, Katie M.; Marvin, Christopher C. Tetrahedron Letters, 2013 , vol. 54, # 16 p. 2101 - 2104
  • Route2

    References

    • Proximagen Limited; Savory, Edward Daniel; Stewart, Allson; Cartey, Allison; Brown, Giles; Simpson, Iain; Oliver, Kathryn; Patient, Lee; Higginbottom, Michael; Cole, Andrew Graham Patent: US2013/289020 A1, 2013 ; Location in patent: Paragraph 0357 ;
  • Route3

    References

    • Okimoto, Mitsuhiro; Yoshida, Takashi; Hoshi, Masayuki; Hattori, Kazuyuki; Komata, Masashi; Numata, Kaori; Tomozawa, Kenta Australian Journal of Chemistry, 2007 , vol. 60, # 4 p. 236 - 242

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   23.47
  • LogP   1.4271
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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