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CS-W001157 4
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2,6,6-Trimethyl-1,5,6,7-tetrahydro-4H-indol-4-one

  • CAS No. 69595-03-5

  • Cat. No. CS-0455003
  • Molecule weight177.24
  • Purity≥98%
  • MDL No.None

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

2,6,6-Trimethyl-1,5,6,7-tetrahydro-4H-indol-4-one|CS-0455003

Structure of 69595-03-5

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General Information

  • CAS No. 69595-03-5
  • Cat. No. CS-0455003
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₅NO
  • Molecular Weight 177.24
  • Synonym(s) 2,6,6-Trimethyl-6,7-dihydro-1H-indol-4(5H)-one
  • SMILES CC1=CC2=C(CC(C)(C)CC2=O)N1

Synthesis

  • Route1
    • 5,5-Dimethyl-2-(2-oxopropyl)cyclohexane-1,3-dione|CS-0329041
      13148-87-3
    • ~70%
    • 2,6,6-Trimethyl-1,5,6,7-tetrahydro-4H-indol-4-one|CS-0455003
      69595-03-5

    References

    • Gonzalez-Chavez, Rodolfo; Martinez, Roberto; Torre-Bouscoulet, Maria Eugenia; Gallo, Marco; Gonzalez-Chavez, Marco Martin Chemical and Pharmaceutical Bulletin, 2014 , vol. 62, # 1 p. 16 - 24
  • Route2
    • null|null
      134256-36-3
    • ~74%
    • 2,6,6-Trimethyl-1,5,6,7-tetrahydro-4H-indol-4-one|CS-0455003
      69595-03-5

    References

    • Mori, Miwako; Uozumi, Yasuhiro; Shibasaki, Masakatsu Heterocycles, 1992 , vol. 33, # 2 p. 819 - 830
  • Route3

    References

    • CHONG KUN DANG PHARMACEUTICAL CORP.; KIM, Yuntae; LEE, Changsik; YANG, Hyun-mo; CHOI, Hojin; MIN, Jaeki; KIM, Soyoung; KIM, Dal-Hyun; HA, Nina; KIM, Jung-Min; LIM, Hyojin; KO, Eunhee Patent: WO2013/62344 A1, 2013 ;

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   32.86
  • LogP   2.47822
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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