Name: Name:6-Bromo-8-fluoro-2,4-dihydro-1,4-benzoxazin-3-one
Brand: AABLOCKS
SKU: AA00D8CI
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00D8CI

Chemical Name: 6-Bromo-8-fluoro-2,4-dihydro-1,4-benzoxazin-3-one

CAS Number: 560082-53-3

Molecular Formula: C8H5BrFNO2

Molecular Weight: 246.0332

MDL Number: MFCD09835008

SMILES: O=C1COc2c(N1)cc(cc2F)Br

Properties

BP: 356°C at 760 mmHg

Form: Solid

MP: 265 - 267˚C

Storage: Keep in dry area;2-8℃;

Complexity: 226

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 13

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 0

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 1.7

Downstream Synthesis Route

182499-89-4

79-04-9

560082-53-3

[1]CurrentPatentAssignee:DISCUVAGB-WO2019/86890,2019,A1Locationinpatent:Page/Pagecolumn93-94

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2006/14580,2006,A1Locationinpatent:Page/Pagecolumn52

560082-53-3

95010-17-6

875551-17-0

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2006/14580,2006,A1Locationinpatent:Page/Pagecolumn52

560082-53-3

17832-28-9

6-acetyl-8-fluoro-2H-1,4-benzoxazin-3(4H)-one

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-WO2007/77961,2007,A2Locationinpatent:Page/Pagecolumn296-297

[2]Locationinpatent:experimentalpartHasui,Tomoaki;Matsunaga,Nobuyuki;Ora,Taiichi;Ohyabu,Norio;Nishigaki,Nobuhiro;Imura,Yoshimi;Igata,Yumiko;Matsui,Hideki;Motoyaji,Takashi;Tanaka,Toshimasa;Habuka,Noriyuki;Sogabe,Satoshi;Ono,Midori;Siedem,ChristopherS.;Tang,TonyP.;Gauthier,Cassandra;DeMeese,LisaA.;Boyd,StevenA.;Fukumoto,Shoji[JournalofMedicinalChemistry,2011,vol.54,#24,p.8616-8631]

560082-53-3

73183-34-3

943994-40-9

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-WO2007/77961,2007,A2Locationinpatent:Page/Pagecolumn305-306

[2]Hasui,Tomoaki;Ohra,Taiichi;Ohyabu,Norio;Asano,Kouhei;Matsui,Hideki;Mizukami,Atsushi;Habuka,Noriyuki;Sogabe,Satoshi;Endo,Satoshi;Siedem,ChristopherS.;Tang,TonyP.;Gauthier,Cassandra;DeMeese,LisaA.;Boyd,StevenA.;Fukumoto,Shoji[BioorganicandMedicinalChemistry,2013,vol.21,#19,p.5983-5994]

[3]CurrentPatentAssignee:PFIZERINC-WO2015/58084,2015,A1Locationinpatent:Paragraph0431

943994-29-4

560082-53-3

[1]HameedP.,Shahul;Shanbhag,Gajanan;Shinde,Vikas;Chinnapattu,Murugan;Manjrekar,Praveena;Puttur,Jayashree;Patil,Vikas;Ugarkar,Bheemarao[SyntheticCommunications,2013,vol.43,#24,p.3315-3321]

[2]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-WO2007/77961,2007,A2Locationinpatent:Page/Pagecolumn296

[3]Locationinpatent:experimentalpartHasui,Tomoaki;Matsunaga,Nobuyuki;Ora,Taiichi;Ohyabu,Norio;Nishigaki,Nobuhiro;Imura,Yoshimi;Igata,Yumiko;Matsui,Hideki;Motoyaji,Takashi;Tanaka,Toshimasa;Habuka,Noriyuki;Sogabe,Satoshi;Ono,Midori;Siedem,ChristopherS.;Tang,TonyP.;Gauthier,Cassandra;DeMeese,LisaA.;Boyd,StevenA.;Fukumoto,Shoji[JournalofMedicinalChemistry,2011,vol.54,#24,p.8616-8631]

560082-53-3 | 6-Bromo-8-fluoro-2,4-dihydro-1,4-benzoxazin-3-one