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CS-W001157 4
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(2-Oxo-1,3-benzoxazol-3(2H)-yl)acetic acid

  • CAS No. 13610-49-6

  • Cat. No. CS-0074867
  • Molecule weight193.16
  • Purity≥97%
  • MDL No.MFCD01547452

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

(2-Oxo-1,3-benzoxazol-3(2H)-yl)acetic acid|CS-0074867

Structure of 13610-49-6

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General Information

  • CAS No. 13610-49-6
  • Cat. No. CS-0074867
  • Purity ≥97%
  • MDL No. MFCD01547452
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₄
  • Molecular Weight 193.16
  • Synonym(s) 3-(CARBOXYMETHYL)-2(3H)-BENZOXAZOLONE
  • SMILES O=C1N(CC(O)=O)C2=CC=CC=C2O1

Synthesis

  • Route1
    • Ethyl 2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate|CS-0245545
      13610-51-0
    • ~95%
    • (2-Oxo-1,3-benzoxazol-3(2H)-yl)acetic acid|CS-0074867
      13610-49-6

    References

    • US2008/21023 A1, ; Page/Page column 20 ; US 20080021023 A1
  • Route2
    • null|null
      910322-42-8
    • ~98%
    • (2-Oxo-1,3-benzoxazol-3(2H)-yl)acetic acid|CS-0074867
      13610-49-6

    References

    • US2006/211603 A1, ; Page/Page column 64 ;
  • Route3

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 16, # 24 p. 6165 - 6169

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   72.44
  • LogP   0.6791
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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