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1-(2-Fluorophenyl)propan-1-one

  • CAS No. 446-22-0

  • Cat. No. CS-W018096
  • Molecule weight152.17
  • Purity≥95%
  • MDL No.MFCD00009893

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

1-(2-Fluorophenyl)propan-1-one|CS-W018096

Structure of 446-22-0

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General Information

  • CAS No. 446-22-0
  • Cat. No. CS-W018096
  • Purity ≥95%
  • MDL No. MFCD00009893
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉FO
  • Molecular Weight 152.17
  • Synonym(s) Ethyl 2-Fluorophenyl Ketone
  • SMILES CCC(=O)C1=C(F)C=CC=C1

Description

Acid-PEG2-t-butyl ester is a PEG linker containing a t-butyl protected carboxyl group with a terminal carboxylic acid. The terminal carboxylic acid can react with primary amine groups in the presence of activators (e.g. EDC, or HATU) to form a stable amide bond. The hydrophilic PEG spacer increases solubility in aqueous media. The t-butyl protected carboxyl group can be deprotected under acidic conditions.

Synthesis

  • Route1
    • 1-(2-Fluorophenyl)propan-1-ol|CS-0315138
      156022-15-0
    • ~%
    • 1-(2-Fluorophenyl)propan-1-one|CS-W018096
      446-22-0

    References

    • Youngsaye, Willmen; Hartland, Cathy L.; Morgan, Barbara J.; Ting, Amal; Nag, Partha P.; Vincent, Benjamin; Mosher, Carrie A.; Bittker, Joshua A.; Dandapani, Sivaraman; Palmer, Michelle; Whitesell, Luke; Lindquist, Susan; Schreiber, Stuart L.; Munoz, Benito Beilstein Journal of Organic Chemistry, 2013 , vol. 9, p. 1501 - 1507
  • Route2
    • null|null
      133745-75-2
    • null|null
      93-55-0
    • null|null
      4111-54-0
    • ~84%
    • 1-(2-Fluorophenyl)propan-1-one|CS-W018096
      446-22-0

    References

    • Allied-Signal Inc. Patent: US5254732 A1, 1993 ;
  • Route3
    • 1-(2-Fluorophenyl)prop-2-en-1-ol|CS-0225782
      58824-51-4
    • ~7%
    • null|null
      1340481-59-5
    • 1-(2-Fluorophenyl)propan-1-one|CS-W018096
      446-22-0

    References

    • Ahlsten, Nanna; Bartoszewicz, Agnieszka; Agrawal, Santosh; Martin-Matute, Belen Synthesis, 2011 , # 16 art. no. C57411SS, p. 2600 - 2608

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H227
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.4184
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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