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Home Fluorides 55687-31-5
55687-31-5,MFCD00869382
Catalog No.:AA00DKIF

55687-31-5 | 6-Trifluoromethyl-1,4-dihydroquinoxaline-2,3-dione

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$344.00   $241.00
- +
5g
96%
in stock  
$1,009.00   $706.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00DKIF
Chemical Name:
6-Trifluoromethyl-1,4-dihydroquinoxaline-2,3-dione
CAS Number:
55687-31-5
Molecular Formula:
C9H5F3N2O2
Molecular Weight:
230.1434
MDL Number:
MFCD00869382
SMILES:
O=c1[nH]c2ccc(cc2[nH]c1=O)C(F)(F)F
Properties
Properties
 
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
329  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
XLogP3:
1.1  

Downstream Synthesis Route

[1]CurrentPatentAssignee:KALYPSYS,INC.;ALCON,INC.-US2010/120741,2010,A1Locationinpatent:Page/Pagecolumn29

[2]CurrentPatentAssignee:KALYPSYS,INC.-WO2011/112731,2011,A2Locationinpatent:Page/Pagecolumn91

[3]Locationinpatent:experimentalpartDeng,Jing;Feng,Enguang;Ma,Sheng;Zhang,Yan;Liu,Xiaofeng;Li,Honglin;Huang,Huang;Zhu,Jin;Zhu,Weiliang;Shen,Xu;Miao,Liyan;Liu,Hong;Jiang,Hualiang;Li,Jian[JournalofMedicinalChemistry,2011,vol.54,#13,p.4508-4522]

[4]LummaJr.;Hartman;Saari;Engelhardt;Lotti;Stone[JournalofMedicinalChemistry,1981,vol.24,#1,p.93-101]

[1]CurrentPatentAssignee:KALYPSYS,INC.;ALCON,INC.-US2010/120741,2010,A1Locationinpatent:Page/Pagecolumn29-30

[2]CurrentPatentAssignee:KALYPSYS,INC.-WO2011/112731,2011,A2Locationinpatent:Page/Pagecolumn91

[3]Locationinpatent:experimentalpartDeng,Jing;Feng,Enguang;Ma,Sheng;Zhang,Yan;Liu,Xiaofeng;Li,Honglin;Huang,Huang;Zhu,Jin;Zhu,Weiliang;Shen,Xu;Miao,Liyan;Liu,Hong;Jiang,Hualiang;Li,Jian[JournalofMedicinalChemistry,2011,vol.54,#13,p.4508-4522]

[4]Iwata;Sakajyo;Tanaka[JournalofHeterocyclicChemistry,1994,vol.31,#6,p.1433-1438]

[5]LummaJr.;Hartman;Saari;Engelhardt;Lotti;Stone[JournalofMedicinalChemistry,1981,vol.24,#1,p.93-101]

[1]Iwata;Sakajyo;Tanaka[JournalofHeterocyclicChemistry,1994,vol.31,#6,p.1433-1438]

[1]Lubisch;Behl;Hofmann[BioorganicandMedicinalChemistryLetters,1996,vol.6,#23,p.2887-2892]

[1]CurrentPatentAssignee:UNIVERSITYOFCALIFORNIA;OREGONSTATEBOARDOFHIGHEREDUCATION-US5514680,1996,A

[2]Lubisch;Behl;Hofmann[BioorganicandMedicinalChemistryLetters,1996,vol.6,#23,p.2887-2892]

Literature
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SDS
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Tags:55687-31-5 Molecular Formula|55687-31-5 MDL|55687-31-5 SMILES|55687-31-5 6-Trifluoromethyl-1,4-dihydroquinoxaline-2,3-dione