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Home Boronic Acids 1072951-60-0
1072951-60-0,MFCD09038421
Catalog No.:AA0084Z7

1072951-60-0 | 2-((3-(Trifluoromethyl)phenoxy)methyl)phenylboronic acid

Pack Size
Purity
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Price(USD)
Quantity
  
250mg
96%
in stock  
$42.00   $30.00
- +
1g
96%
in stock  
$75.00   $53.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0084Z7
Chemical Name:
2-((3-(Trifluoromethyl)phenoxy)methyl)phenylboronic acid
CAS Number:
1072951-60-0
Molecular Formula:
C14H12BF3O3
Molecular Weight:
296.0495
MDL Number:
MFCD09038421
SMILES:
OB(c1ccccc1COc1cccc(c1)C(F)(F)F)O
Properties
Computed Properties
 
Complexity:
325  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  

Downstream Synthesis Route

[1]Locationinpatent:experimentalpartSchmidt,Stefanie;Preu,Lutz;Lemcke,Thomas;Totzke,Frank;Schächtele,Christoph;Kubbutat,MichaelH.G.;Kunick,Conrad[EuropeanJournalofMedicinalChemistry,2011,vol.46,#7,p.2759-2769]

1072951-60-0    349-03-1   
C21H13F6NO3 

[1]EuropeanJournalofMedicinalChemistry,2018,vol.143,p.1419-1427

1072951-60-0    4068-75-1   
2-hydroxy-5-2-(3-trifluoromethylphenoxymethyl)phenyl-benzoicacidpotassiumsalt 

[1]Moya-Garzón,MaríaDolores;MartínHigueras,Cristina;Peñalver,Pablo;Romera,Manuela;Fernandes,MiguelX.;Franco-Montalbán,Francisco;Gómez-Vidal,JoséA.;Salido,Eduardo;Díaz-Gavilán,Mónica[JournalofMedicinalChemistry,2018,vol.61,#16,p.7144-7167]

16870-28-3    1072951-60-0   
2-hydroxy-4-2-(3-trifluoromethylphenoxymethyl)phenyl-benzoicacidpotassiumsalt 

[1]JournalofMedicinalChemistry,2018,vol.61,p.7144-7167

16870-28-3    1072951-60-0   
4-{2'-3"-(trifluoromethyl)phenoxymethylphenyl}-2-hydroxybenzoicacid 

[1]Patent:EP3593803,2020,A2.Locationinpatent:Paragraph0074;0079

[2]JournalofMedicinalChemistry,2018,vol.61,p.7144-7167

Literature
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Tags:1072951-60-0 Molecular Formula|1072951-60-0 MDL|1072951-60-0 SMILES|1072951-60-0 2-((3-(Trifluoromethyl)phenoxy)methyl)phenylboronic acid