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CS-W001157 4
Total: USD 88.00

4h,5h,6h,7h,8h-Cyclohepta[d][1,2]oxazole-3-carboxylic acid

  • CAS No. 33230-32-9

  • Cat. No. CS-0217755
  • Purity98+%
  • MDL No.None

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

4h,5h,6h,7h,8h-Cyclohepta[d][1,2]oxazole-3-carboxylic acid|CS-0217755

Structure of 33230-32-9

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General Information

  • CAS No. 33230-32-9
  • Cat. No. CS-0217755
  • Purity 98+%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NO₃
  • Molecular Weight 181.19
  • Synonym(s) 5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxylic acid
  • SMILES C1CCC2=C(CC1)ON=C2C(=O)O

Synthesis

  • Route1
    • Ethyl 5,6,7,8-tetrahydro-4h-cyclohepta[d]isoxazole-3-carboxylate|CS-0666156
      500576-41-0
    • ~97%
    • 4h,5h,6h,7h,8h-Cyclohepta[d][1,2]oxazole-3-carboxylic acid|CS-0217755
      33230-32-9

    References

    • Song, Jiho; Kim, Young Jin; Min, Kyung Hoon; Lee, Hyun-E; Kim, Su Yeon; Kim, Dong-Seok Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 22 p. 6943 - 6946,4
  • Route2
    • null|null
      502-42-1
    • ~%
    • 4h,5h,6h,7h,8h-Cyclohepta[d][1,2]oxazole-3-carboxylic acid|CS-0217755
      33230-32-9

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 22, # 22 p. 6943 - 6946,4
  • Route3
    • Ethyl 2-oxo-2-(2-oxocycloheptyl)acetate|CS-0255104
      29800-43-9
    • ~%
    • 4h,5h,6h,7h,8h-Cyclohepta[d][1,2]oxazole-3-carboxylic acid|CS-0217755
      33230-32-9

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 22, # 22 p. 6943 - 6946,4

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   63.33
  • LogP   1.6417
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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