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149396-34-9,MFCD02930634
Catalog No.:AA001LL9

149396-34-9 | Methyl 3-oxo-3,4-dihydro-2h-1,4-benzoxazine-8-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$97.00   $68.00
- +
1g
95%
in stock  
$277.00   $194.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001LL9
Chemical Name:
Methyl 3-oxo-3,4-dihydro-2h-1,4-benzoxazine-8-carboxylate
CAS Number:
149396-34-9
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
MDL Number:
MFCD02930634
SMILES:
COC(=O)c1cccc2c1OCC(=O)N2
Properties
Properties
 
BP:
422.3°C at 760 mmHg  
Form:
Solid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
279  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.7  

Downstream Synthesis Route

[1]Einhorn;Oppenheimer[JustusLiebigsAnnalenderChemie,1900,vol.311,p.168]

[2]CurrentPatentAssignee:JAPANTOBACCOINC-US2006/35882,2006,A1Locationinpatent:Page/Pagecolumn32

[1]Einhorn;Oppenheimer[JustusLiebigsAnnalenderChemie,1900,vol.311,p.168]

[1]CurrentPatentAssignee:CHEMOCENTRYXINC-WO2007/51062,2007,A2Locationinpatent:Page/Pagecolumn138

149396-34-9   
3-oxo-3,4-dihydro-2H-benzo1,4oxazine-8-carboxylicacid 

[1]CurrentPatentAssignee:CHEMOCENTRYXINC-WO2007/51062,2007,A2Locationinpatent:Page/Pagecolumn138

[2]Shao,Xuwei;Pak,Steven;Velagapudi,UdayKiran;Gobbooru,Shruthi;Kommaraju,SaiShilpa;Low,Woon-Kai;Subramaniam,Gopal;Pathak,SanjaiKumar;Talele,TanajiT.[BioorganicChemistry,2020,vol.102]

[1]Shao,Xuwei;Pak,Steven;Velagapudi,UdayKiran;Gobbooru,Shruthi;Kommaraju,SaiShilpa;Low,Woon-Kai;Subramaniam,Gopal;Pathak,SanjaiKumar;Talele,TanajiT.[BioorganicChemistry,2020,vol.102]

[2]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2008/81399,2008,A2Locationinpatent:Page/Pagecolumn72

[3]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2009/16560,2009,A2Locationinpatent:Page/Pagecolumn40;71

[4]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US2010/16401,2010,A1Locationinpatent:Page/Pagecolumn36

[5]CurrentPatentAssignee:JAPANTOBACCOINC-US2006/35882,2006,A1Locationinpatent:Page/Pagecolumn32

Literature
Quotation Request
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SDS
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Tags:149396-34-9 Molecular Formula|149396-34-9 MDL|149396-34-9 SMILES|149396-34-9 Methyl 3-oxo-3,4-dihydro-2h-1,4-benzoxazine-8-carboxylate
Catalog No.: AA001LL9
149396-34-9,MFCD02930634
149396-34-9 | Methyl 3-oxo-3,4-dihydro-2h-1,4-benzoxazine-8-carboxylate
Pack Size： 250mg
Purity： 95%
in stock
$97.00 $68.00
Pack Size： 1g
Purity： 95%
in stock
$277.00 $194.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001LL9
Chemical Name: Methyl 3-oxo-3,4-dihydro-2h-1,4-benzoxazine-8-carboxylate
CAS Number: 149396-34-9
Molecular Formula: C10H9NO4
Molecular Weight: 207.1828
MDL Number: MFCD02930634
SMILES: COC(=O)c1cccc2c1OCC(=O)N2
Properties
BP: 422.3°C at 760 mmHg  
Form: Solid  
Storage: Keep in dry area;2-8℃;  
Complexity: 279  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.7  
Downstream Synthesis Route
873862-31-8    149396-34-9 

[1]Einhorn;Oppenheimer[JustusLiebigsAnnalenderChemie,1900,vol.311,p.168]

[2]CurrentPatentAssignee:JAPANTOBACCOINC-US2006/35882,2006,A1Locationinpatent:Page/Pagecolumn32

64241-01-6    149396-34-9 

[1]Einhorn;Oppenheimer[JustusLiebigsAnnalenderChemie,1900,vol.311,p.168]

35748-34-6    149396-34-9 

[1]CurrentPatentAssignee:CHEMOCENTRYXINC-WO2007/51062,2007,A2Locationinpatent:Page/Pagecolumn138

149396-34-9   
3-oxo-3,4-dihydro-2H-benzo1,4oxazine-8-carboxylicacid 

[1]CurrentPatentAssignee:CHEMOCENTRYXINC-WO2007/51062,2007,A2Locationinpatent:Page/Pagecolumn138

[2]Shao,Xuwei;Pak,Steven;Velagapudi,UdayKiran;Gobbooru,Shruthi;Kommaraju,SaiShilpa;Low,Woon-Kai;Subramaniam,Gopal;Pathak,SanjaiKumar;Talele,TanajiT.[BioorganicChemistry,2020,vol.102]

149396-34-9    873862-33-0 

[1]Shao,Xuwei;Pak,Steven;Velagapudi,UdayKiran;Gobbooru,Shruthi;Kommaraju,SaiShilpa;Low,Woon-Kai;Subramaniam,Gopal;Pathak,SanjaiKumar;Talele,TanajiT.[BioorganicChemistry,2020,vol.102]

[2]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2008/81399,2008,A2Locationinpatent:Page/Pagecolumn72

[3]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2009/16560,2009,A2Locationinpatent:Page/Pagecolumn40;71

[4]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US2010/16401,2010,A1Locationinpatent:Page/Pagecolumn36

[5]CurrentPatentAssignee:JAPANTOBACCOINC-US2006/35882,2006,A1Locationinpatent:Page/Pagecolumn32

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