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4872-58-6,MFCD06011087
Catalog No.:AA00E00X

4872-58-6 | 3-Phenyl-4,5-dihydroisoxazole-5-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$153.00   $107.00
- +
1g
95%
in stock  
$361.00   $253.00
- +
5g
95%
in stock  
$1,042.00   $730.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00E00X
Chemical Name:
3-Phenyl-4,5-dihydroisoxazole-5-carboxylic acid
CAS Number:
4872-58-6
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD06011087
SMILES:
OC(=O)C1ON=C(C1)c1ccccc1
Properties
Computed Properties
 
Complexity:
256  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.4  

Downstream Synthesis Route

[1]Zheng,Hongchao;McDonald,Robert;Hall,DennisG.[Chemistry-AEuropeanJournal,2010,vol.16,#18,p.5454-5460]

[2]Gruenanger;Finzi[AttidellaAccademiaNazionaledeiLincei,ClassediScienzeFisiche,MatematicheeNaturali,Rendiconti,1959,vol.<8>26,p.386,387]

[3]Christl,M.;Huisgen,R.[TetrahedronLetters,1968,p.5209-5213]Gruenanger;Finzi[AttidellaAccademiaNazionaledeiLincei,ClassediScienzeFisiche,MatematicheeNaturali,Rendiconti,1959,vol.<8>26,p.386,387]

[1]Quilicoetal.[GazzettaChimicaItaliana,1952,vol.82,p.349,356]

[1]Quilico;Gruenanger[GazzettaChimicaItaliana,1955,vol.85,p.1250,1256,1265]

[1]Quilicoetal.[GazzettaChimicaItaliana,1950,vol.80,p.479,493]

[2]Quilicoetal.[GazzettaChimicaItaliana,1950,vol.80,p.479,493]

[3]Quilico;Gruenanger[GazzettaChimicaItaliana,1955,vol.85,p.1250,1256,1265]

[1]Radchenko,S.I.etal.[JournalofgeneralchemistryoftheUSSR,1965,vol.35,p.1735-1738][ZhurnalObshcheiKhimii,1965,vol.35,p.1735-1739]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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SDS
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