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CS-W001157 4
Total: USD 88.00

1-(2-Methylphenyl)butane-1,3-dione

  • CAS No. 56290-54-1

  • Cat. No. CS-0225189
  • Purity≥98%
  • MDL No.None

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

1-(2-Methylphenyl)butane-1,3-dione|CS-0225189

Structure of 56290-54-1

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General Information

  • CAS No. 56290-54-1
  • Cat. No. CS-0225189
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₂
  • Molecular Weight 176.21
  • Synonym(s) 1-o-Tolylbutane-1,3-dione
  • SMILES CC1=CC=CC=C1C(=O)CC(=O)C

Synthesis

  • Route1
    • null|null
      141-78-6
    • In-stock
      2-Methylacetophenone|CS-W013374
      577-16-2
    • ~72%
    • In-stock
      1-(2-Methylphenyl)butane-1,3-dione|CS-0225189
      56290-54-1

    References

    • Hornback, Joseph M.; Poundstone, Melani L.; Vadlamani, Bhanumathi; Graham, Susan M.; Gabay, Julie; Patton, Shelly T. Journal of Organic Chemistry, 1988 , vol. 53, # 24 p. 5597 - 5601
  • Route2
    • 2-Methylbenzoyl cyanide|CS-0311850
      5955-73-7
    • null|null
      67-64-1
    • ~10%
    • In-stock
      1-(2-Methylphenyl)butane-1,3-dione|CS-0225189
      56290-54-1

    References

    • Shen, Zongxuan; Li, Bin; Wang, Lu; Zhang, Yawen Tetrahedron Letters, 2005 , vol. 46, # 50 p. 8785 - 8788
  • Route3
    • null|null
      95-46-5
    • ~%
    • In-stock
      1-(2-Methylphenyl)butane-1,3-dione|CS-0225189
      56290-54-1

    References

    • Korsager, Signe; Nielsen, Dennis U.; Taaning, Rolf H.; Lindhardt, Anders T.; Skrydstrup, Troels Chemistry - A European Journal, 2013 , vol. 19, # 52 p. 17687 - 17691

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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