22244-22-0,MFCD01663859
Catalog No.:AA007OYV

22244-22-0 | Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$81.00   $57.00
- +
5g
97%
in stock  
$247.00   $173.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA007OYV
Chemical Name:
Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CAS Number:
22244-22-0
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD01663859
SMILES:
CCOC(=O)C1CNc2c(O1)cccc2
Properties
Computed Properties
 
Complexity:
232  
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:
3  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2  

Downstream Synthesis Route

[1]CurrentPatentAssignee:LUPINLIMITED-WO2012/127385,2012,A1Locationinpatent:Page/Pagecolumn46-47

[2]Butler;Chapleo;Myers;Welbourn[JournalofHeterocyclicChemistry,1985,vol.22,#1,p.177-181]

[1]Spinck,Martin;Bischoff,Matthias;Lampe,Philipp;Meyer-Almes,Franz-Josef;Sievers,Sonja;Neumann,Heinz[JournalofMedicinalChemistry,2021,vol.64,#9,p.5838-5849]

[2]Butler;Chapleo;Myers;Welbourn[JournalofHeterocyclicChemistry,1985,vol.22,#1,p.177-181]

[3]Bourlot,Anne-Sophie;Sánchez,Isabel;Dureng,Georges;Guillaumet,Gérald;Massingham,Roy;Monteil,André;Winslow,Eileen;Pujol,M.Dolors;Mérour,Jean-Yves[JournalofMedicinalChemistry,1998,vol.41,#17,p.3142-3158]

[4]CurrentPatentAssignee:GRAYNATHANAELS;DANA-FARBERCANCERINSTITUTE-WO2022/87433,2022,A1Locationinpatent:Page/Pagecolumn46;49;56-57

[5]CurrentPatentAssignee:GRAYNATHANAELS;DANA-FARBERCANCERINSTITUTE-WO2022/87433,2022,A1Locationinpatent:Page/Pagecolumn46;49;56-57

[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]CurrentPatentAssignee:LUPINLIMITED-WO2012/127385,2012,A1Locationinpatent:Page/Pagecolumn52

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

[1]CurrentPatentAssignee:VANDERBILTUNIVERSITY-WO2015/80904,2015,A1Locationinpatent:Paragraph00526

[2]Pham,Hong-Ngoc;Arrault,Axelle;Vanthuyne,Nicolas;Acherar,Samir[Chirality,2021,vol.33,#7,p.324-336]

[3]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]

[4]CurrentPatentAssignee:BEIGENELTD.-WO2016/8411,2016,A1Locationinpatent:Paragraph0110

[5]Spinck,Martin;Bischoff,Matthias;Lampe,Philipp;Meyer-Almes,Franz-Josef;Sievers,Sonja;Neumann,Heinz[JournalofMedicinalChemistry,2021,vol.64,#9,p.5838-5849]

[6]CurrentPatentAssignee:HYUNDAIPHARM.CO.,LTD-WO2012/128582,2012,A2Locationinpatent:Page/Pagecolumn76-77

[7]CurrentPatentAssignee:GRAYNATHANAELS;DANA-FARBERCANCERINSTITUTE-WO2022/87433,2022,A1Locationinpatent:Page/Pagecolumn46;56-57

[8]CurrentPatentAssignee:GRAYNATHANAELS;DANA-FARBERCANCERINSTITUTE-WO2022/87433,2022,A1Locationinpatent:Page/Pagecolumn46;56-57

[9]Štefanič,Petra;Turnšek,Katja;Kikelj,Danijel[Tetrahedron,2003,vol.59,#36,p.7123-7129]

[10]Zhou,Dahui;Harrison,BoydL.;Shah,Uresh;Andree,TerranceH.;Hornby,GeoffreyA.;Scerni,Rosemary;Schechter,LeeE.;Smith,DeborahL.;Sullivan,KellyM.;Mewshaw,RichardE.[BioorganicandMedicinalChemistryLetters,2006,vol.16,#5,p.1338-1341]

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

[12]CurrentPatentAssignee:AMGENINC-WO2007/62007,2007,A1Locationinpatent:Page/Pagecolumn97

[13]Bertron,JeanetteL.;Cho,HyekyungP.;Garcia-Barrantes,PedroM.;Panarese,JosephD.;Salovich,JamesM.;Nance,KellieD.;Engers,DarrenW.;Rook,JerriM.;Blobaum,AnnaL.;Niswender,ColleenM.;Stauffer,ShaunR.;Conn,P.Jeffrey;Lindsley,CraigW.[BioorganicandMedicinalChemistryLetters,2018,vol.28,#12,p.2175-2179]

[14]Rook,JerriM.;Bertron,JeanetteL.;Cho,HyekyungP.;Garcia-Barrantes,PedroM.;Moran,SeanP.;Maksymetz,JamesT.;Nance,KellieD.;Dickerson,JonathanW.;Remke,DanielH.;Chang,Sichen;Harp,JoelM.;Blobaum,AnnaL.;Niswender,ColleenM.;Jones,CarrieK.;Stauffer,ShaunR.;Conn,P.Jeffrey;Lindsley,CraigW.[ACSChemicalNeuroscience,2018,vol.9,#9,p.2274-2285]

[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]Torisu,Kazuhiko;Kobayashi,Kaoru;Iwahashi,Maki;Nakai,Yoshihiko;Onoda,Takahiro;Nagase,Toshihiko;Sugimoto,Isamu;Okada,Yutaka;Matsumoto,Ryoji;Nanbu,Fumio;Ohuchida,Shuichi;Nakai,Hisao;Toda,Masaaki[BioorganicandMedicinalChemistry,2004,vol.12,#20,p.5361-5378]

[4]CurrentPatentAssignee:AMGENINC-WO2007/62007,2007,A1Locationinpatent:Page/Pagecolumn103

Literature
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SDS
Tags:22244-22-0 Molecular Formula|22244-22-0 MDL|22244-22-0 SMILES|22244-22-0 Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Catalog No.: AA007OYV
22244-22-0,MFCD01663859
22244-22-0 | Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Pack Size: 1g
Purity: 95%
in stock
$81.00 $57.00
Pack Size: 5g
Purity: 97%
in stock
$247.00 $173.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA007OYV
Chemical Name: Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CAS Number: 22244-22-0
Molecular Formula: C11H13NO3
Molecular Weight: 207.2258
MDL Number: MFCD01663859
SMILES: CCOC(=O)C1CNc2c(O1)cccc2
Properties
Complexity: 232  
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: 3  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2  
Downstream Synthesis Route
98-88-4    22244-22-0    68466-11-5 

[1]CurrentPatentAssignee:LUPINLIMITED-WO2012/127385,2012,A1Locationinpatent:Page/Pagecolumn46-47

[2]Butler;Chapleo;Myers;Welbourn[JournalofHeterocyclicChemistry,1985,vol.22,#1,p.177-181]

22244-22-0    13582-93-9 

[1]Spinck,Martin;Bischoff,Matthias;Lampe,Philipp;Meyer-Almes,Franz-Josef;Sievers,Sonja;Neumann,Heinz[JournalofMedicinalChemistry,2021,vol.64,#9,p.5838-5849]

[2]Butler;Chapleo;Myers;Welbourn[JournalofHeterocyclicChemistry,1985,vol.22,#1,p.177-181]

[3]Bourlot,Anne-Sophie;Sánchez,Isabel;Dureng,Georges;Guillaumet,Gérald;Massingham,Roy;Monteil,André;Winslow,Eileen;Pujol,M.Dolors;Mérour,Jean-Yves[JournalofMedicinalChemistry,1998,vol.41,#17,p.3142-3158]

[4]CurrentPatentAssignee:GRAYNATHANAELS;DANA-FARBERCANCERINSTITUTE-WO2022/87433,2022,A1Locationinpatent:Page/Pagecolumn46;49;56-57

[5]CurrentPatentAssignee:GRAYNATHANAELS;DANA-FARBERCANCERINSTITUTE-WO2022/87433,2022,A1Locationinpatent:Page/Pagecolumn46;49;56-57

100-44-7    22244-22-0    68281-42-5 

[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]CurrentPatentAssignee:LUPINLIMITED-WO2012/127385,2012,A1Locationinpatent:Page/Pagecolumn52

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

95-55-6    3674-13-3    22244-22-0 

[1]CurrentPatentAssignee:VANDERBILTUNIVERSITY-WO2015/80904,2015,A1Locationinpatent:Paragraph00526

[2]Pham,Hong-Ngoc;Arrault,Axelle;Vanthuyne,Nicolas;Acherar,Samir[Chirality,2021,vol.33,#7,p.324-336]

[3]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]

[4]CurrentPatentAssignee:BEIGENELTD.-WO2016/8411,2016,A1Locationinpatent:Paragraph0110

[5]Spinck,Martin;Bischoff,Matthias;Lampe,Philipp;Meyer-Almes,Franz-Josef;Sievers,Sonja;Neumann,Heinz[JournalofMedicinalChemistry,2021,vol.64,#9,p.5838-5849]

[6]CurrentPatentAssignee:HYUNDAIPHARM.CO.,LTD-WO2012/128582,2012,A2Locationinpatent:Page/Pagecolumn76-77

[7]CurrentPatentAssignee:GRAYNATHANAELS;DANA-FARBERCANCERINSTITUTE-WO2022/87433,2022,A1Locationinpatent:Page/Pagecolumn46;56-57

[8]CurrentPatentAssignee:GRAYNATHANAELS;DANA-FARBERCANCERINSTITUTE-WO2022/87433,2022,A1Locationinpatent:Page/Pagecolumn46;56-57

[9]Štefanič,Petra;Turnšek,Katja;Kikelj,Danijel[Tetrahedron,2003,vol.59,#36,p.7123-7129]

[10]Zhou,Dahui;Harrison,BoydL.;Shah,Uresh;Andree,TerranceH.;Hornby,GeoffreyA.;Scerni,Rosemary;Schechter,LeeE.;Smith,DeborahL.;Sullivan,KellyM.;Mewshaw,RichardE.[BioorganicandMedicinalChemistryLetters,2006,vol.16,#5,p.1338-1341]

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

[12]CurrentPatentAssignee:AMGENINC-WO2007/62007,2007,A1Locationinpatent:Page/Pagecolumn97

[13]Bertron,JeanetteL.;Cho,HyekyungP.;Garcia-Barrantes,PedroM.;Panarese,JosephD.;Salovich,JamesM.;Nance,KellieD.;Engers,DarrenW.;Rook,JerriM.;Blobaum,AnnaL.;Niswender,ColleenM.;Stauffer,ShaunR.;Conn,P.Jeffrey;Lindsley,CraigW.[BioorganicandMedicinalChemistryLetters,2018,vol.28,#12,p.2175-2179]

[14]Rook,JerriM.;Bertron,JeanetteL.;Cho,HyekyungP.;Garcia-Barrantes,PedroM.;Moran,SeanP.;Maksymetz,JamesT.;Nance,KellieD.;Dickerson,JonathanW.;Remke,DanielH.;Chang,Sichen;Harp,JoelM.;Blobaum,AnnaL.;Niswender,ColleenM.;Jones,CarrieK.;Stauffer,ShaunR.;Conn,P.Jeffrey;Lindsley,CraigW.[ACSChemicalNeuroscience,2018,vol.9,#9,p.2274-2285]

74-88-4    22244-22-0    54442-28-3 

[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]Torisu,Kazuhiko;Kobayashi,Kaoru;Iwahashi,Maki;Nakai,Yoshihiko;Onoda,Takahiro;Nagase,Toshihiko;Sugimoto,Isamu;Okada,Yutaka;Matsumoto,Ryoji;Nanbu,Fumio;Ohuchida,Shuichi;Nakai,Hisao;Toda,Masaaki[BioorganicandMedicinalChemistry,2004,vol.12,#20,p.5361-5378]

[4]CurrentPatentAssignee:AMGENINC-WO2007/62007,2007,A1Locationinpatent:Page/Pagecolumn103

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