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7160-97-6,MFCD09832134
Catalog No.:AA005G9N

7160-97-6 | 2,3,4,5-Tetrahydrobenzo[b][1,4]oxazepine

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100mg
95%
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$123.00   $86.00
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250mg
95%
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$156.00   $109.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA005G9N
Chemical Name:
2,3,4,5-Tetrahydrobenzo[b][1,4]oxazepine
CAS Number:
7160-97-6
Molecular Formula:
C9H11NO
Molecular Weight:
149.1897
MDL Number:
MFCD09832134
SMILES:
C1COc2c(NC1)cccc2
Properties
Properties
 
Form:
Solid  
Storage:
2-8℃;Keep in dry area;  

Computed Properties
 
Complexity:
127  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
XLogP3:
2  

Downstream Synthesis Route

[1]v.Braun;Braunsdorf[ChemischeBerichte,1921,vol.54,p.701]

[1]Sam;Valentine;Aboul-Enein[JournalofPharmaceuticalSciences,1971,vol.60,#9,p.1370-1375]

[1]Locationinpatent:experimentalpartCho,Hidetsura;Iwama,Yusuke;Sugimoto,Kenji;Kwon,Eunsang;Tokuyama,Hidetoshi[Heterocycles,2009,vol.78,#5,p.1183-1190]

[2]Locationinpatent:experimentalpartCho,Hidetsura;Iwama,Yusuke;Sugimoto,Kenji;Mori,Seiji;Tokuyama,Hidetoshi[JournalofOrganicChemistry,2010,vol.75,#3,p.627-636]

[3]Locationinpatent:schemeortableCho,Hidetsura;Iwama,Yusuke;Mitsuhashi,Nakako;Sugimoto,Kenji;Okano,Kentaro;Tokuyama,Hidetoshi[Molecules,2012,vol.17,#6,p.7348-7355]

[4]Yea,ChristopherM.;Allan,ChristineE.;Ashworth,DoreenM.;Barnett,James;Baxter,AndyJ.;Broadbridge,JaniceD.;Franklin,RichardJ.;Hampton,SallyL.;Hudson,Peter;Horton,JohnA.;Jenkins,PaulD.;Penson,AndyM.;Pitt,GaryR.W.;Rivière,Pierre;Robson,PeterA.;Rooker,DavidP.;Semple,Graeme;Sheppard,Andy;Haigh,RobertM.;Roe,MichaelB.[JournalofMedicinalChemistry,2008,vol.51,#24,p.8124-8134]

[5]Guo,Zheng;Zhang,Zixue;Zhang,Yi;Wang,Guan;Huang,Ziyi;Zhang,Qinwei;Li,Jianqi[EuropeanJournalofMedicinalChemistry,2021,vol.218]

[6]Orlova,E.K.etal.[ChemistryofHeterocyclicCompounds,1975,vol.11,p.1099-1103][KhimiyaGeterotsiklicheskikhSoedinenii,1975,vol.11,p.1262-1266]

[7]Nagarajan,K.etal.[IndianJournalofChemistry,1974,vol.12,p.247-251]

[8]Cho,Hidetsura;Sugimoto,Kenji;Iwama,Yusuke;Mitsuhashi,Nakako;Okano,Kentaro;Tokuyama,Hidetoshi[Heterocycles,2011,vol.82,#2,p.1633-1644]

[9]CurrentPatentAssignee:NEUROCRINEBIOSCIENCESINC-WO2008/124614,2008,A1

50-00-0    143-33-9    7160-97-6   
(3,4-dihydro-2<i>H</i>-benzo<i>b</i>1,4oxazepin-5-yl)-acetonitrile 

[1]Sam;Valentine;Aboul-Enein[JournalofPharmaceuticalSciences,1971,vol.60,#9,p.1370-1375]

[1]Nagarajan,K.etal.[IndianJournalofChemistry,1974,vol.12,p.236-246]

Literature
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SDS
Tags:7160-97-6 Molecular Formula|7160-97-6 MDL|7160-97-6 SMILES|7160-97-6 2,3,4,5-Tetrahydrobenzo[b][1,4]oxazepine