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CS-W001157 4
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2-Chloro-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one

  • CAS No. 70990-68-0

  • Cat. No. CS-0474620
  • Molecule weight174.62
  • Purity≥98%
  • MDL No.None

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

2-Chloro-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one|CS-0474620

Structure of 70990-68-0

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General Information

  • CAS No. 70990-68-0
  • Cat. No. CS-0474620
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁ClO₂
  • Molecular Weight 174.62
  • Synonym(s) 2-Cyclohexen-1-one, 2-chloro-3-hydroxy-5,5-dimethyl-
  • SMILES CC1(C)CC(O)=C(Cl)C(=O)C1

Synthesis

  • Route1
    • null|null
      1807-68-7
    • ~97%
    • 2-Chloro-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one|CS-0474620
      70990-68-0

    References

    • Lee, Yong Rok; Cho, Bang Sub; Kwon, Hyuk Jin Tetrahedron, 2003 , vol. 59, # 47 p. 9333 - 9347
  • Route2
    • null|null
      3471-13-4
    • ~82%
    • 2-Chloro-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one|CS-0474620
      70990-68-0

    References

    • Schank, Kurt; Blattner, Rudolf; Bouillon, Guenter Chemische Berichte, 1981 , vol. 114, # 5 p. 1951 - 1957
  • Route3
    • null|null
      101386-03-2
    • ~59%
    • null|null
      79-20-9
    • 2-Chloro-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one|CS-0474620
      70990-68-0

    References

    • De Buyck, L.; Seynaeve, D.; De Kimpe, N.; Verhe, R.; Schamp, N. Bulletin des Societes Chimiques Belges, 1985 , vol. 94, # 5 p. 363 - 370

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   37.3
  • LogP   2.3839
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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