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CS-W001157 4
Total: USD 88.00

3,6,6-Trimethyl-6,7-dihydro-1H-indol-4(5H)-one

  • CAS No. 56008-20-9

  • Cat. No. CS-0152850
  • Molecule weight177.24
  • Purity≥98%
  • MDL No.MFCD08060464

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

3,6,6-Trimethyl-6,7-dihydro-1H-indol-4(5H)-one|CS-0152850

Structure of 56008-20-9

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General Information

  • CAS No. 56008-20-9
  • Cat. No. CS-0152850
  • Purity ≥98%
  • MDL No. MFCD08060464
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₅NO
  • Molecular Weight 177.24
  • Synonym(s) 3,6,6-Trimethyl-1,5,6,7-tetrahydro-indol-4-on
  • SMILES CC1=CNC2=C1C(=O)CC(C)(C)C2

Synthesis

  • Route1
    • (1E)-1-Hydroxyiminopropan-2-one|CS-0039829
      17280-41-0
    • In-stock
      Dimedone|CS-W016456
      126-81-8
    • ~50%
    • In-stock
      3,6,6-Trimethyl-6,7-dihydro-1H-indol-4(5H)-one|CS-0152850
      56008-20-9

    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 ; Location in patent: Page/Page column 87 ;
  • Route2

    References

    • Clezy, Peter S.; Prashar, Jognandan K. Australian Journal of Chemistry, 1990 , vol. 43, # 5 p. 825 - 837
  • Route3

    References

    • Nenitzescu; Scortzeanu Bulet. Soc. chim. Romania, vol. 10, p. 134 Chem. Zentralbl., 1929 , vol. 100, # I p. 2185

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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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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