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Home Boronic Acids 850411-12-0
850411-12-0,MFCD08706086
Catalog No.:AA004SS5

850411-12-0 | 3-Fluoro-2-(trifluoromethyl)phenylboronic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$44.00   $31.00
- +
250mg
98%
in stock  
$73.00   $51.00
- +
1g
98%
in stock  
$101.00   $71.00
- +
25g
97%
in stock  
$2,007.00   $1,405.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA004SS5
Chemical Name:
3-Fluoro-2-(trifluoromethyl)phenylboronic acid
CAS Number:
850411-12-0
Molecular Formula:
C7H5BF4O2
Molecular Weight:
207.9180
MDL Number:
MFCD08706086
SMILES:
OB(c1cccc(c1C(F)(F)F)F)O
Properties
Properties
 
Form:
Solid  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
197  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  

Downstream Synthesis Route

[1]Locationinpatent:schemeortableTyagarajan,Sriram;Chakravarty,PrasunK.;Zhou,Bishan;Taylor,Brett;Fisher,MichaelH.;Wyvratt,MathewJ.;Lyons,Kathy;Klatt,Tracy;Li,Xiaohua;Kumar,Sanjeev;Williams,Brande;Felix,John;Priest,BirgitT.;Brochu,RichardM.;Warren,Vivien;Smith,McHardy;Garcia,Maria;Kaczorowski,GregoryJ.;Martin,WilliamJ.;Abbadie,Catherine;McGowan,Erin;Jochnowitz,Nina;Parsons,WilliamH.[BioorganicandMedicinalChemistryLetters,2010,vol.20,#18,p.5480-5483]

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-US2014/88117,2014,A1Locationinpatent:Page/Pagecolumn

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-US2014/88117,2014,A1Locationinpatent:Page/Pagecolumn

(±)-(3aS,6aS)-tert-butyl5-(((trifluoromethyl)sulfonyl)oxy)-3,3a,6,6a-tetrahydrocyclopentac-pyrrole-2(1H)-carboxylate 
  850411-12-0   
C19H21F4NO2 

[1]Cioffi,ChristopherL.;Racz,Boglarka;Freeman,EmilyE.;Conlon,MichaelP.;Chen,Ping;Stafford,DouglasG.;Schwarz,DanielM.C.;Zhu,Lei;Kitchen,DouglasB.;Barnes,KeithD.;Dobri,Nicoleta;Michelotti,Enrique;Cywin,CharlesL.;Martin,WilliamH.;Pearson,PaulG.;Johnson,Graham;Petrukhin,Konstantin[JournalofMedicinalChemistry,2015,vol.58,#15,p.5863-5888]

850411-12-0    138647-49-1   
tert-butyl4-(3-fluoro-2-(trifluoromethyl)phenyl)-5,6-dihydropyridine-1(2H)-carboxylate 

[1]CurrentPatentAssignee:COLUMBIAUNIVERSITYINTHECITYOFNEWYORK-WO2015/168286,2015,A1Locationinpatent:Page/Pagecolumn61

[2]Cioffi,ChristopherL.;Racz,Boglarka;Varadi,Andras;Freeman,EmilyE.;Conlon,MichaelP.;Chen,Ping;Zhu,Lei;Kitchen,DouglasB.;Barnes,KeithD.;Martin,WilliamH.;Pearson,PaulG.;Johnson,Graham;Blaner,WilliamS.;Petrukhin,Konstantin[JournalofMedicinalChemistry,2019,vol.62,#11,p.5470-5500]

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Tags:850411-12-0 Molecular Formula|850411-12-0 MDL|850411-12-0 SMILES|850411-12-0 3-Fluoro-2-(trifluoromethyl)phenylboronic acid