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CS-W001157 4
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1-(2-Methoxyphenyl)butan-1-one

  • CAS No. 13404-83-6

  • Cat. No. CS-0552019
  • Purity≥98%
  • MDL No.None

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

1-(2-Methoxyphenyl)butan-1-one|CS-0552019

Structure of 13404-83-6

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General Information

  • CAS No. 13404-83-6
  • Cat. No. CS-0552019
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₂
  • Molecular Weight 178.23
  • Synonym(s) o-Methoxybutyrophenone
  • SMILES CCCC(=O)C1=CC=CC=C1OC

Synthesis

  • Route1

    References

    • NPS PHARMACEUTICALS, INC. Patent: WO2007/44796 A2, 2007 ; Location in patent: Page/Page column 27-28 ; WO 2007/044796 A2
  • Route2
    • null|null
      108-03-2
    • 2-Methoxybenzaldehyde, ≥97%|CS-1269021
      135-02-4
    • ~0%
    • 1-(2-Methoxyphenyl)butan-1-one|CS-0552019
      13404-83-6
    • In-stock
      2-Methoxybenzonitrile|CS-W007580
      6609-56-9
    • 2-Methoxybenzaldehyde oxime|CS-0316247
      29577-53-5
    • null|null
      134538-56-0

    References

    • Agafonov, N. E.; Sedishev, I. P.; Dudin, A. V.; Kutin, A. A.; Stashina, G. A.; Zhulin, V. M. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1991 , vol. 40, # 2.2 p. 366 - 372 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1991 , # 2 p. 426 - 433
  • Route3

    References

    • Keumi, Takashi; Morita, Toshio; Shimada, Takanobu; Teshima, Naomi; Kitajima, Hidehiko; Prakash, G. K. Surya Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1986 , p. 847 - 852

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.678
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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