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CS-W001157 4
Total: USD 88.00

1H-Indole-2-carboxylic acid, octahydro-, (2R,3aR,7aR)-rel-

  • CAS No. 80828-13-3

  • Cat. No. CS-0062476
  • Purity≥97%
  • MDL No.None

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

1H-Indole-2-carboxylic acid, octahydro-, (2R,3aR,7aR)-rel-|CS-0062476

Structure of 80828-13-3

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General Information

  • CAS No. 80828-13-3
  • Cat. No. CS-0062476
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₅NO₂
  • Molecular Weight 169.22
  • Synonym(s) Octahydroindole-2-Carboxylic Acid
  • SMILES O=C([C@@H]1N[C@]2([H])CCCC[C@]2([H])C1)O.[Relative stereochemistry]

Synthesis

  • Route1
    • null|null
      16851-56-2
    • ~70%
    • 1H-Indole-2-carboxylic acid, octahydro-, (2R,3aR,7aR)-rel-|CS-0062476
      80828-13-3
    • 1H-Indole-2-carboxylic acid, octahydro-, (2R,3aR,7aR)-rel-|CS-0062476
      80828-13-3

    References

    • Sayago, Francisco J.; Jimenez, Ana I.; Cativiela, Carlos Tetrahedron Asymmetry, 2007 , vol. 18, # 19 p. 2358 - 2364
  • Route2
    • Indole, ≥99%|CS-1268948
      120-72-9
    • ~%
    • 1H-Indole-2-carboxylic acid, octahydro-, (2R,3aR,7aR)-rel-|CS-0062476
      80828-13-3

    References

    • Tetrahedron Letters, , vol. 24, # 48 p. 5339 - 5342
  • Route3
    • null|null
      1193-68-6
    • ~%
    • 1H-Indole-2-carboxylic acid, octahydro-, (2R,3aR,7aR)-rel-|CS-0062476
      80828-13-3

    References

    • Tetrahedron Letters, , vol. 24, # 48 p. 5339 - 5342

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   49.33
  • LogP   0.9917
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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