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CS-W001157 4
Total: USD 88.00

3-Coumaranone

  • CAS No. 7169-34-8

  • Cat. No. CS-W001165
  • Molecule weight134.13
  • Purity≥97%
  • MDL No.MFCD00051810

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

3-Coumaranone|CS-W001165

Structure of 7169-34-8

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General Information

  • CAS No. 7169-34-8
  • Cat. No. CS-W001165
  • Purity ≥97%
  • MDL No. MFCD00051810
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆O₂
  • Molecular Weight 134.13
  • Synonym(s) Benzofuran-3-one
  • SMILES O=C1C2=C(OC1)C=CC=C2

Description

t-Boc-N-amido-PEG12-acid is a PEG linker containing a terminal carboxylic acid and Boc-protected amino group. The hydrophilic PEG spacer increases solubility in aqueous media. 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 Boc group can be deprotected under mild acidic conditions to form the free amine.

Synthesis

  • Route1
    • NSC1335|CS-B1790
      635-53-0
    • ~50%
    • In-stock
      3-Coumaranone|CS-W001165
      7169-34-8

    References

    • Venkatesan, Aranapakam Mudumbai; Santos, Osvaldo Dos; Gu, Yansong Patent: US2005/4162 A1, 2005 ; Location in patent: Page/Page column 10-11 ; US 20050004162 A1
  • Route2
    • Acetic acid, 2-(2-iodophenoxy)-, ethyl ester|CS-0873406
      90794-32-4
    • ~85%
    • In-stock
      3-Coumaranone|CS-W001165
      7169-34-8

    References

    • Inoue; Kitagawa; Shinokubo; Oshima Journal of Organic Chemistry, 2001 , vol. 66, # 12 p. 4333 - 4339
  • Route3
    • null|null
      7169-17-7
    • ~80%
    • In-stock
      3-Coumaranone|CS-W001165
      7169-34-8

    References

    • Ghosh, Somnath; Datta, Indira; Chakraborty, Rupak; Das, Tapas Kumar; Sengupta, Judhajit; Sarkar, Dipak Chandra Tetrahedron, 1989 , vol. 45, # 5 p. 1441 - 1446

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.2617
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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