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176383-56-5,MFCD09038060
Catalog No.:AA0024JW

176383-56-5 | Ethyl 6-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylate

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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0024JW
Chemical Name:
Ethyl 6-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylate
CAS Number:
176383-56-5
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD09038060
SMILES:
CCOC(=O)C1CNc2c(O1)ccc(c2)C
Properties
Properties
 
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
257  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.3  

Downstream Synthesis Route
176383-56-5   
(6-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-yl)methanol 

[1]Bourlot,Anne-Sophie;Guillaumet,Gerald;Merour,Jean-Yves[JournalofHeterocyclicChemistry,1996,vol.33,#1,p.191-196]

[1]Touzeau,Frédérique;Arrault,Axelle;Guillaumet,Gérald;Scalbert,Elizabeth;Pfeiffer,Bruno;Rettori,Marie-Claire;Renard,Pierre;Mérour,Jean-Yves[JournalofMedicinalChemistry,2003,vol.46,#10,p.1962-1979]

[2]Bourlot,Anne-Sophie;Guillaumet,Gerald;Merour,Jean-Yves[JournalofHeterocyclicChemistry,1996,vol.33,#1,p.191-196]

[3]CurrentPatentAssignee:DANA-FARBERCANCERINSTITUTE;GRAYNATHANAELS-WO2022/87433,2022,A1Locationinpatent:Page/Pagecolumn46;61

[4]CurrentPatentAssignee:DANA-FARBERCANCERINSTITUTE;GRAYNATHANAELS-WO2022/87433,2022,A1Locationinpatent:Page/Pagecolumn46;61

95-84-1    3674-13-3    176383-56-5   
6-methyl-3,4-dihydro-2<i>H</i>-benzo1,4oxazine-3-carboxylicacidethylester 

[1]Mayer;Arrault;Guillaumet;Merour[JournalofHeterocyclicChemistry,2001,vol.38,#1,p.221-225]

176383-56-5    100-39-0   
ethyl4-benzyl-3,4-dihydro-6-methyl-2H-1,4-benzoxazine-2-carboxylate 

[1]Mayer,Stanislas;Guillaumet,Gerald;Merour,Jean-Yves[Heterocycles,2001,vol.55,#10,p.1873-1888]

Literature
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SDS
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Tags:176383-56-5 Molecular Formula|176383-56-5 MDL|176383-56-5 SMILES|176383-56-5 Ethyl 6-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylate