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Home Fluorides 230615-59-5
230615-59-5,MFCD10566032
Catalog No.:AA002LZM

230615-59-5 | 1-(7,8-Dinitro-4,5-dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$37.00   $26.00
- +
5g
95%
in stock  
$137.00   $96.00
- +
10g
95%
in stock  
$258.00   $181.00
- +
25g
95%
in stock  
$535.00   $375.00
- +
100g
95%
in stock  
$1,716.00   $1,202.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002LZM
Chemical Name:
1-(7,8-Dinitro-4,5-dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone
CAS Number:
230615-59-5
Molecular Formula:
C13H10F3N3O5
Molecular Weight:
345.2308
MDL Number:
MFCD10566032
SMILES:
O=C(C(F)(F)F)N1CC2CC(C1)c1c2cc(c(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
537  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
8  
Undefined Atom Stereocenter Count:
2  
XLogP3:
2.2  

Downstream Synthesis Route

[1]Coe,JothamW.;Brooks,PaigeR.;Wirtz,MichaelC.;Bashore,CrystalG.;Bianco,KristaE.;Vetelino,MichaelG.;Arnold,EricP.;Lebel,LorraineA.;Fox,CarolB.;TingleyIII,F.David;Schulz,DavidW.;Davis,ThomasI.;Sands,StevenB.;Mansbach,RobertS.;Rollema,Hans;O'Neill,BrianT.[BioorganicandMedicinalChemistryLetters,2005,vol.15,#22,p.4889-4897]

[2]CurrentPatentAssignee:PFIZERINC-WO2007/110730,2007,A2Locationinpatent:Page/Pagecolumn11-12

[3]CurrentPatentAssignee:PFIZERINC-US2002/72524,2002,A1

[4]CurrentPatentAssignee:PFIZERINC-US6605610,2003,B1

[5]CurrentPatentAssignee:PFIZERINC-US2003/60624,2003,A1

[1]Coe,JothamW.;Brooks,PaigeR.;Wirtz,MichaelC.;Bashore,CrystalG.;Bianco,KristaE.;Vetelino,MichaelG.;Arnold,EricP.;Lebel,LorraineA.;Fox,CarolB.;TingleyIII,F.David;Schulz,DavidW.;Davis,ThomasI.;Sands,StevenB.;Mansbach,RobertS.;Rollema,Hans;O'Neill,BrianT.[BioorganicandMedicinalChemistryLetters,2005,vol.15,#22,p.4889-4897]

[2]CurrentPatentAssignee:PFIZERINC-US2003/60624,2003,A1

230615-51-7   
3-(trifluoroacetyl)-6,8-dinitro-2,3,4,5-tetrahydro-1H-1,5-methano-3-benzazepine 
  230615-59-5 

[1]BioorganicandMedicinalChemistryLetters,2005,vol.15,p.4889-4897

[2]Patent:WO2009/65872,2009,A2.Locationinpatent:Page/Pagecolumn11-12

230615-59-5   
1-(7,8-diamino-4,5-dihydro-1H-1,5-methanobenzodazepin-3(2H)-yl)-2,2,2-trifluoroethanone 

[1]Coe,JothamW.;Brooks,PaigeR.;Wirtz,MichaelC.;Bashore,CrystalG.;Bianco,KristaE.;Vetelino,MichaelG.;Arnold,EricP.;Lebel,LorraineA.;Fox,CarolB.;TingleyIII,F.David;Schulz,DavidW.;Davis,ThomasI.;Sands,StevenB.;Mansbach,RobertS.;Rollema,Hans;O'Neill,BrianT.[BioorganicandMedicinalChemistryLetters,2005,vol.15,#22,p.4889-4897]

[2]CurrentPatentAssignee:TEVAPHARMACEUTICALINDUSTRIESLTD.-US2009/318695,2009,A1Locationinpatent:Page/Pagecolumn10

[3]CurrentPatentAssignee:SEIDEENGELBERT;TEVAPHARMACEUTICALINDUSTRIESLTD.-WO2010/23561,2010,A1Locationinpatent:Page/Pagecolumn17-18

[4]CurrentPatentAssignee:ALMATICAPHARMA-US11040983,2021,B1Locationinpatent:Page/Pagecolumn8-9

[5]CurrentPatentAssignee:ALMATICAPHARMA-WO2022/35434,2022,A1Locationinpatent:Paragraph0053-0054

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Tags:230615-59-5 Molecular Formula|230615-59-5 MDL|230615-59-5 SMILES|230615-59-5 1-(7,8-Dinitro-4,5-dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone