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1136-45-4,MFCD00003153
Catalog No.:AA00091J

1136-45-4 | 5-Methyl-3-phenylisoxazole-4-carboxylic acid

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Purity
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Price(USD)
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1g
98%
in stock  
$12.00   $8.00
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5g
98%
in stock  
$19.00   $14.00
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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:
AA00091J
Chemical Name:
5-Methyl-3-phenylisoxazole-4-carboxylic acid
CAS Number:
1136-45-4
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
MDL Number:
MFCD00003153
SMILES:
OC(=O)c1c(C)onc1c1ccccc1
NSC Number:
76870
Properties
Computed Properties
 
Complexity:
238  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2  

Downstream Synthesis Route

[1]Chemistry-AEuropeanJournal,2010,vol.16,p.5454-5460

[2]GazzettaChimicaItaliana,1946,vol.76,p.148,163

[1]GazzettaChimicaItaliana,1938,vol.68,p.411,416

[1]BioorganicandMedicinalChemistryLetters,2005,vol.15,p.1201-1204

[2]ChemMedChem,2012,vol.7,p.425-439

[3]GazzettaChimicaItaliana,1937,vol.67,p.589,599

[4]BioorganicandMedicinalChemistryLetters,2010,vol.20,p.726-729

[5]Heterocycles,2014,vol.89,p.453-464

[6]ArchivesofToxicology,2018,vol.92,p.2897-2911

[7]RSCAdvances,2020,vol.10,p.4446-4454

[1]GazzettaChimicaItaliana,1963,vol.93,p.1714-1725

[2]AdvancedSynthesisandCatalysis,2013,vol.355,p.790-796

[1]Patent:WO2007/74089,2007,A1.Locationinpatent:Page/Pagecolumn10

[2]Patent:WO2013/171334,2013,A1.Locationinpatent:Page/Pagecolumn23

[3]JournalofHeterocyclicChemistry,2012,vol.49,p.621-627

[4]HelveticaChimicaActa,1976,vol.59,p.2074-2099

[5]JournalofOrganicChemistry,1985,vol.50,p.5660-5666

[6]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.193-196

[7]Tetrahedron,2007,vol.63,p.12195-12201

[8]Patent:WO2005/33103,2005,A1.Locationinpatent:Page/Pagecolumn37

[9]Patent:US2003/149051,2003,A1

[10]Patent:US2008/21022,2008,A1.Locationinpatent:Page/Pagecolumn56

[11]JournaloftheAmericanChemicalSociety,2012,vol.134,p.12928-12931

[12]OrganicLetters,2014,vol.16,p.5266-5268

[13]JournalofMedicinalChemistry,2019,vol.62,p.8284-8310

Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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