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Home Fluorides 866683-57-0
866683-57-0,MFCD08458148
Catalog No.:AA004KUD

866683-57-0 | 1-Ethynyl-3-(trifluoromethoxy)-benzene

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$26.00   $18.00
- +
250mg
98%
in stock  
$34.00   $24.00
- +
5g
97%
in stock  
$318.00   $223.00
- +
25g
97%
in stock  
$1,275.00   $892.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA004KUD
Chemical Name:
1-Ethynyl-3-(trifluoromethoxy)-benzene
CAS Number:
866683-57-0
Molecular Formula:
C9H5F3O
Molecular Weight:
186.1306
MDL Number:
MFCD08458148
SMILES:
C#Cc1cccc(c1)OC(F)(F)F
Properties
Properties
 
BP:
166.3±40.0 °C(Predicted)  
Form:
Liquid  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
213  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
2  
XLogP3:
3.3  

Downstream Synthesis Route

[1]CurrentPatentAssignee:ELILILLY&CO-WO2005/94822,2005,A1Locationinpatent:Page/Pagecolumn101

[1]CurrentPatentAssignee:ELILILLY&CO-WO2005/94822,2005,A1Locationinpatent:Page/Pagecolumn38-39

866683-57-0   
methyl5-azido-4'-(1-(2,2,2-trifluoroacetyl)piperidin-4-yl)-1,1',-biphenyl-3-carboxylate 
 
methyl5-(4-(3-(trifluoromethoxy)phenyl)-1H-1,2,3-triazol-1-yl)-4'-(1-(2,2,2-trifluoroacetyl)piperidin-4-yl)-1,1'-biphenyl-3-carboxylate 

[1]Junker,Anna;Balasubramanian,Ramachandran;Ciancetta,Antonella;Uliassi,Elisa;Kiselev,Evgeny;Martiriggiano,Chiara;Trujillo,Kevin;Mtchedlidze,Giorgi;Birdwell,Leah;Brown,KyleA.;Harden,T.Kendall;Jacobson,KennethA.[JournalofMedicinalChemistry,2016,vol.59,#13,p.6149-6168]

866683-57-0    615-43-0   
3-(2-(3-(trifluoromethoxy)phenyl)-1H-indole-1-yl)isobenzofuran-1(3H)-one 

[1]Yuan,Shuo;Zhang,Dan-Qing;Zhang,Jing-Ya;Yu,Bin;Liu,Hong-Min[OrganicLetters,2020,vol.22,#3,p.814-817]

866683-57-0    615-43-0   
2-((3-(trifluoromethoxy)phenyl)ethynyl)aniline 

[1]Yuan,Shuo;Zhang,Dan-Qing;Zhang,Jing-Ya;Yu,Bin;Liu,Hong-Min[OrganicLetters,2020,vol.22,#3,p.814-817]

Literature
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