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CS-W001157 4
Total: USD 88.00

1-(m-Tolyl)butane-1,3-dione

  • CAS No. 61551-89-1

  • Cat. No. CS-0433954
  • Purity≥95%
  • MDL No.MFCD09996562

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

1-(m-Tolyl)butane-1,3-dione|CS-0433954

Structure of 61551-89-1

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General Information

  • CAS No. 61551-89-1
  • Cat. No. CS-0433954
  • Purity ≥95%
  • MDL No. MFCD09996562
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₂
  • Molecular Weight 176.21
  • Synonym(s) 1,3-Butanedione, 1-(3-methylphenyl)-
  • SMILES CC(CC(C1=CC=CC(C)=C1)=O)=O

Synthesis

  • Route1
    • null|null
      201230-82-2
    • In-stock
      1-Iodo-3-methylbenzene|CS-W014806
      625-95-6
    • null|null
      67-64-1
    • ~69%
    • 1-(m-Tolyl)butane-1,3-dione|CS-0433954
      61551-89-1

    References

    • Schranck, Johannes; Tlili, Anis; Alsabeh, Pamela G.; Neumann, Helfried; Stradiotto, Mark; Beller, Matthias Chemistry - A European Journal, 2013 , vol. 19, # 38 p. 12624 - 12628
  • Route2
    • 3'-Methylacetophenone Celecoxib  Impurity|CS-0229272
      585-74-0
    • ~%
    • 1-(m-Tolyl)butane-1,3-dione|CS-0433954
      61551-89-1

    References

    • SmithKline Beecham Corporation Patent: US6498174 B1, 2002 ;
  • Route3
    • null|null
      141-78-6
    • 3'-Methylacetophenone Celecoxib  Impurity|CS-0229272
      585-74-0
    • ~%
    • 1-(m-Tolyl)butane-1,3-dione|CS-0433954
      61551-89-1

    References

    • Kumar, Gulshan; Gupta, Vandana; Gautam; Gupta Heterocyclic Communications, 2002 , vol. 8, # 4 p. 381 - 384

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   2.15682
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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