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Home Boronic Acids 958451-91-7
958451-91-7,MFCD11042442
Catalog No.:AA005WXN

958451-91-7 | (5-(Trifluoromethyl)thiophen-2-yl)boronic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
in stock  
$47.00   $33.00
- +
100mg
95%
in stock  
$57.00   $40.00
- +
250mg
95%
in stock  
$83.00   $58.00
- +
1g
95%
in stock  
$257.00   $180.00
- +
  • Technical Information
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  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA005WXN
Chemical Name:
(5-(Trifluoromethyl)thiophen-2-yl)boronic acid
CAS Number:
958451-91-7
Molecular Formula:
C5H4BF3O2S
Molecular Weight:
195.9553
MDL Number:
MFCD11042442
SMILES:
OB(c1ccc(s1)C(F)(F)F)O
Properties
Properties
 
BP:
281.3°C at 760 mmHg  
Form:
Solid  
Storage:
Keep in dry area;-20 ℃;  

Computed Properties
 
Complexity:
163  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  

Downstream Synthesis Route
958451-91-7   
C2H3F3*C11H13NO3S 
 
C16H14F3NS 

[1]Locationinpatent:schemeortableZhang,Mingzhu;Jovic,Florence;Vickers,Troy;Dyck,Brian;Tamiya,Junko;Grey,Jonathan;Tran,JoeA.;Fleck,BethA.;Pick,Rebecca;Foster,AlanC.;Chen,Chen[BioorganicandMedicinalChemistryLetters,2008,vol.18,#13,p.3682-3686]

958451-91-7   
3-bromo-5-(2-methylpropanoyl)benzonitrile 
 
3-(2-methylpropanoyl)-5-5-(trifluoromethyl)thien-2-ylbenzonitrile 

[1]Schwertz,Geoffrey;Witschel,MatthiasC.;Rottmann,Matthias;Bonnert,Roger;Leartsakulpanich,Ubolsree;Chitnumsub,Penchit;Jaruwat,Aritsara;Ittarat,Wanwipa;Schäfer,Anja;Aponte,RaphaelA.;Charman,SusanA.;White,KarenL.;Kundu,Abhijit;Sadhukhan,Surajit;Lloyd,Mel;Freiberg,GailM.;Srikumaran,Myron;Siggel,Marc;Zwyssig,Adrian;Chaiyen,Pimchai;Diederich,François[JournalofMedicinalChemistry,2017,vol.60,#12,p.4840-4860]

958451-91-7   
(±)-6-amino-4-{3-cyano-5-5-(trifluoromethyl)thien-2-ylphenyl}-3-methyl-4-isopropyl-2,4-dihydropyrano2,3-cpyrazole-5-carbonitrile 

[1]Schwertz,Geoffrey;Witschel,MatthiasC.;Rottmann,Matthias;Bonnert,Roger;Leartsakulpanich,Ubolsree;Chitnumsub,Penchit;Jaruwat,Aritsara;Ittarat,Wanwipa;Schäfer,Anja;Aponte,RaphaelA.;Charman,SusanA.;White,KarenL.;Kundu,Abhijit;Sadhukhan,Surajit;Lloyd,Mel;Freiberg,GailM.;Srikumaran,Myron;Siggel,Marc;Zwyssig,Adrian;Chaiyen,Pimchai;Diederich,François[JournalofMedicinalChemistry,2017,vol.60,#12,p.4840-4860]

958451-91-7   
(1-{3-cyano-5-5-(trifluoromethyl)thien-2-ylphenyl}-2-methylpropylidene)propanedinitrile 

[1]Schwertz,Geoffrey;Witschel,MatthiasC.;Rottmann,Matthias;Bonnert,Roger;Leartsakulpanich,Ubolsree;Chitnumsub,Penchit;Jaruwat,Aritsara;Ittarat,Wanwipa;Schäfer,Anja;Aponte,RaphaelA.;Charman,SusanA.;White,KarenL.;Kundu,Abhijit;Sadhukhan,Surajit;Lloyd,Mel;Freiberg,GailM.;Srikumaran,Myron;Siggel,Marc;Zwyssig,Adrian;Chaiyen,Pimchai;Diederich,François[JournalofMedicinalChemistry,2017,vol.60,#12,p.4840-4860]

958451-91-7   
2-(5-bromo-4-methyl-1,2,4-triazol-3-yl)-3-ethylsulfonyl-5-(trifluoromethyl)pyridine 
 
3-ethylsulfonyl-2-4-methyl-5-5-(trifluoromethyl)-2-thienyl-1,2,4-triazol-3-yl-5-(trifluoromethyl)pyridine 

[1]CurrentPatentAssignee:SINOCHEMHOLDINGSCORPORATIONLTD;Syngenta(in:SinochemHoldings)-WO2018/41729,2018,A2Locationinpatent:Page/Pagecolumn61-62

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