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CS-W001157 4
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(R)-2-chloro-6-(oxiran-2-ylmethoxy)benzonitrile

  • CAS No. 198226-53-8

  • Cat. No. CS-M0686
  • Molecule weight209.63
  • Purity≥95%
  • MDL No.None

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

(R)-2-chloro-6-(oxiran-2-ylmethoxy)benzonitrile|CS-M0686

Structure of 198226-53-8

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General Information

  • CAS No. 198226-53-8
  • Cat. No. CS-M0686
  • Purity ≥95%
  • MDL No. None
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈ClNO₂
  • Molecular Weight 209.63
  • Synonym(s) (R)-1-(3-chlorophenyl)-2-chloro-1-hydroxyethane
  • SMILES N#CC1=C(OC[C@@H]2OC2)C=CC=C1Cl

Synthesis

  • Route1

    References

    • BRISTOL-MYERS SQUIBB COMPANY Patent: WO2004/106295 A2, 2004 ; Location in patent: Page 27 ;
  • Route2

    References

    • Johansson, Henrik; Cailly, Thomas; Thomsen, Alex Rojas Bie; Braeuner-Osborne, Hans; Pedersen, Daniel Sejer Beilstein Journal of Organic Chemistry, 2013 , vol. 9, p. 1383 - 1387
  • Route3
    • null|null
      867040-05-9
    • ~96%
    • (R)-2-chloro-6-(oxiran-2-ylmethoxy)benzonitrile|CS-M0686
      198226-53-8

    References

    • Kamal, Ahmed; Chouhan, Gagan Tetrahedron Asymmetry, 2005 , vol. 16, # 16 p. 2784 - 2789

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   45.55
  • LogP   1.98928
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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