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CS-W001157 4
Total: USD 88.00

2-Methyl-1-phenylpropan-1-one

  • CAS No. 611-70-1

  • Cat. No. CS-W016333
  • Molecule weight148.21
  • Purity≥98%
  • MDL No.MFCD00008917

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

2-Methyl-1-phenylpropan-1-one|CS-W016333

Structure of 611-70-1

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General Information

  • CAS No. 611-70-1
  • Cat. No. CS-W016333
  • Purity ≥98%
  • MDL No. MFCD00008917
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O
  • Molecular Weight 148.21
  • Synonym(s) Isopropyl Phenyl Ketone
  • SMILES CC(C)C(=O)C1=CC=CC=C1

Description

Isobutyrophenone was used as an internal standard in the determination of hydroxyzine hydrochloride and benzyl alcohol in injection solutions. It was also used in the preparation of alpha-hydroxyisobutyrophenone.

Application

2-Methyl-1-phenylpropan-1-one serves as a versatile aryl ketone building block in synthetic organic chemistry, enabling efficient access to chiral α-aryl carbonyl compounds via enantioselective transformations. Its bench-stable nature and compatibility with standard reduction, aldol, and conjugate addition protocols make it valuable for medicinal chemistry and process development workflows.

Synthesis

  • Route1
    • null|null
      79-30-1
    • null|null
      71-43-2
    • ~93%
    • In-stock
      2-Methyl-1-phenylpropan-1-one|CS-W016333
      611-70-1

    References

    • Meneguzzo, Enzo; Norcini, Gabriele; Li Bassi, Giuseppe Patent: US2011/65962 A1, 2011 ; Location in patent: Page/Page column 3 ;
  • Route2

    References

    • Kodama, Shintaro; Ueta, Yukihiro; Yoshida, Jun; Nomoto, Akihiro; Yano, Shigenobu; Ueshima, Michio; Ogawa, Akiya Dalton Transactions, 2009 , # 44 p. 9708 - 9711
  • Route3

    References

    • Wang, Xingyong; Wang, Xiaodong; Liu, Miaochang; Ding, Jinchang; Chen, Jiuxi; Wu, Huayue Synthesis (Germany), 2013 , vol. 45, # 16 art. no. SS-2013-F0255-OP, p. 2241 - 2244

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H302-H402
Precautionary Statements : P210-P264-P270-P273-P280-P330-P370+P378-P403-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.5253
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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