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CS-W001157 4
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Methyl 2-oxo-4-phenylbutanoate

  • CAS No. 83402-87-3

  • Cat. No. CS-0315567
  • Purity≥97%
  • MDL No.None

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

Methyl 2-oxo-4-phenylbutanoate|CS-0315567

Structure of 83402-87-3

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General Information

  • CAS No. 83402-87-3
  • Cat. No. CS-0315567
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₃
  • Molecular Weight 192.21
  • Synonym(s) Methyl 2-oxo-4-phenylbutanoic acid
  • SMILES COC(=O)C(=O)CCC1=CC=CC=C1

Synthesis

  • Route1

    References

    • Dao, Duc Hai; Kawai, Yasushi; Hida, Kouichi; Bornes, Sander; Nakamura, Kaoru; Ohno, Atsuyoshi; Okamura, Mutsuo; Akasaka, Takeshi Bulletin of the Chemical Society of Japan, 1998 , vol. 71, # 2 p. 425 - 432
  • Route2
    • null|null
      1025483-29-7
    • ~76%
    • Methyl 2-oxo-4-phenylbutanoate|CS-0315567
      83402-87-3

    References

    • Kim, Se Hee; Kim, Ko Hoon; Kim, Jae Nyoung Advanced Synthesis and Catalysis, 2011 , vol. 353, # 18 p. 3335 - 3339
  • Route3
    • null|null
      7226-82-6
    • ~%
    • Methyl 2-oxo-4-phenylbutanoate|CS-0315567
      83402-87-3

    References

    • Journal of Organic Chemistry, , vol. 72, # 22 p. 8175 - 8185

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-H332-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   43.37
  • LogP   1.3613
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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