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CS-W001157 4
Total: USD 88.00

(S)-7a-Methyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione

  • CAS No. 17553-86-5

  • Cat. No. CS-W010832
  • Molecule weight164.20
  • Purity≥97%
  • MDL No.MFCD00012272

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

(S)-7a-Methyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione|CS-W010832

Structure of 17553-86-5

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General Information

  • CAS No. 17553-86-5
  • Cat. No. CS-W010832
  • Purity ≥97%
  • MDL No. MFCD00012272
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₂
  • Molecular Weight 164.20
  • Synonym(s) 7a-methyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-di
  • SMILES O=C1CCC2=CC(CC[C@]12C)=O

Synthesis

  • Route1
    • 2-Methyl-2-(3-oxobutyl)cyclopentane-1,3-dione|CS-1149955
      25112-78-1
    • ~11%
    • (S)-7a-Methyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione|CS-W010832
      17553-86-5
    • (3aS,7aS)-3a-Hydroxy-7a-methylhexahydro-1H-indene-1,5(6H)-dione|CS-W017110
      33879-04-8

    References

    • Tetrahedron Letters, , vol. 54, # 24 p. 3101 - 3104
  • Route2
    • (3aS,7aS)-3a-Hydroxy-7a-methylhexahydro-1H-indene-1,5(6H)-dione|CS-W017110
      33879-04-8
    • ~91%
    • (S)-7a-Methyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione|CS-W010832
      17553-86-5

    References

    • Tetrahedron, , vol. 54, # 14 p. 3439 - 3456
  • Route3
    • null|null
      308278-28-6
    • ~87%
    • (S)-7a-Methyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione|CS-W010832
      17553-86-5

    References

    • European Journal of Organic Chemistry, , # 18 p. 3165 - 3169

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H317-H319-H335
Precautionary Statements : P261-P264-P270-P271-P272-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   1.6449
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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