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CS-W001157 4
Total: USD 88.00

4-(3-Bromophenyl)tetrahydro-2H-pyran-4-carboxylic acid

  • CAS No. 179420-77-0

  • Cat. No. CS-0047353
  • Molecule weight285.13
  • Purity98+%
  • MDL No.MFCD11642684

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

4-(3-Bromophenyl)tetrahydro-2H-pyran-4-carboxylic acid|CS-0047353

Structure of 179420-77-0

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General Information

  • CAS No. 179420-77-0
  • Cat. No. CS-0047353
  • Purity 98+%
  • MDL No. MFCD11642684
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃BrO₃
  • Molecular Weight 285.13
  • Synonym(s) 4-(3-bromophenyl)oxane-4-carboxylic Acid
  • SMILES O=C(C1(C2=CC=CC(Br)=C2)CCOCC1)O

Synthesis

  • Route1
    • Methyl 4-(3-bromophenyl)tetrahydro-2H-pyran-4-carboxylate|CS-0416286
      944924-92-9
    • ~%
    • In-stock
      4-(3-Bromophenyl)tetrahydro-2H-pyran-4-carboxylic acid|CS-0047353
      179420-77-0

    References

    • SANOFI-AVENTIS U.S. LLC Patent: WO2008/39882 A1, 2008 ; Location in patent: Page/Page column 202 ; WO 2008/039882 A1
  • Route2
    • null|null
      179420-76-9
    • ~79%
    • In-stock
      4-(3-Bromophenyl)tetrahydro-2H-pyran-4-carboxylic acid|CS-0047353
      179420-77-0

    References

    • Mano, Takashi; Stevens, Rodney W.; Ando, Kazuo; Kawai, Makoto; Kawamura, Kiyoshi; Nakao, Kazunari; Okumura, Yoshiyuki; Okumura, Takako; Sakakibara, Minoru; Miyamoto, Kimitaka; Tamura, Tetsuya Chemical and Pharmaceutical Bulletin, 2005 , vol. 53, # 8 p. 965 - 973
  • Route3

    References

    • Mano, Takashi; Stevens, Rodney W.; Ando, Kazuo; Kawai, Makoto; Kawamura, Kiyoshi; Nakao, Kazunari; Okumura, Yoshiyuki; Okumura, Takako; Sakakibara, Minoru; Miyamoto, Kimitaka; Tamura, Tetsuya Chemical and Pharmaceutical Bulletin, 2005 , vol. 53, # 8 p. 965 - 973

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

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   2.5819
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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