Home Fluorides 129644-57-1
129644-57-1,MFCD01091003
Catalog No.:AA000Z6E

129644-57-1 | 2-Hydroxy-5-(trifluoromethoxy)benzoic acid

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250mg
>98%
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$68.00   $48.00
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1g
in stock  
$78.00   $55.00
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5g
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$81.00   $57.00
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10g
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000Z6E
Chemical Name:
2-Hydroxy-5-(trifluoromethoxy)benzoic acid
CAS Number:
129644-57-1
Molecular Formula:
C8H5F3O4
Molecular Weight:
222.1181
MDL Number:
MFCD01091003
SMILES:
OC(=O)c1cc(ccc1O)OC(F)(F)F
Properties
Properties
 
Form:
Solid  
MP:
130-132  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
241  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
3.7  

Downstream Synthesis Route

[1]ChemicalandPharmaceuticalBulletin,1996,vol.44,p.734-745

[1]ChemicalandPharmaceuticalBulletin,1996,vol.44,p.734-745

108-24-7    129644-57-1   
2-Acetoxy-5-trifluoromethoxy-benzoicacid 

[1]ChemicalandPharmaceuticalBulletin,1996,vol.44,p.734-745

[1]BioorganicandMedicinalChemistry,2004,vol.12,p.5661-5675

[2]Patent:US6420426,2002,B1

129644-57-1   
2-hydroxy-5-trifluoromethoxy-benzoylchloride 

[1]BioorganicandMedicinalChemistry,2004,vol.12,p.5661-5675

Literature

Title: In vitro metabolism of CP-122,721 ((2S,3S)-2-phenyl-3-[(5-trifluoromethoxy-2-methoxy)benzylamino]piperidine), a non-peptide antagonist of the substance P receptor.

Journal: Drug metabolism and pharmacokinetics 20071001

Title: Metabolism, pharmacokinetics, and excretion of the substance P receptor antagonist CP-122,721 in humans: structural characterization of the novel major circulating metabolite 5-trifluoromethoxy salicylic acid by high-performance liquid chromatography-tandem mass spectrometry and NMR spectroscopy.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20070601

Title: Metabolism and excretion of CP-122,721, a non-peptide antagonist of the neurokinin NK1 receptor, in dogs: identification of the novel cleaved product 5-trifluoromethoxy salicylic acid in plasma.

Journal: Xenobiotica; the fate of foreign compounds in biological systems 20070501

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