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449-55-8,MFCD03723999
Catalog No.:AA00D9CG

449-55-8 | 6,11-DIHYDRO-5H-DIBENZO[B,E]AZEPINE

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Purity
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100mg
95+%
1 week  
$80.00   $56.00
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250mg
95+%
1 week  
$133.00   $93.00
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1g
95+%
1 week  
$358.00   $251.00
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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:
AA00D9CG
Chemical Name:
6,11-DIHYDRO-5H-DIBENZO[B,E]AZEPINE
CAS Number:
449-55-8
Molecular Formula:
C14H13N
Molecular Weight:
195.2597
MDL Number:
MFCD03723999
SMILES:
c1ccc2c(c1)Cc1ccccc1CN2
NSC Number:
88887
Properties
Properties
 
Form:
Solid  
MP:
129-130℃  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
213  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
XLogP3:
2.9  

Downstream Synthesis Route

[1]Borovicka;Protiva[CollectionofCzechoslovakChemicalCommunications,1958,vol.23,p.1330,1331,1334]

[2]CurrentPatentAssignee:NOVONORDISKA/S-US5698551,1997,A

[3]CurrentPatentAssignee:NOVONORDISKA/S-EP820450,2001,B1

[1]Huang,Xueliang;Ma,Liyao;Xia,Jiajin;Xin,Luoting;Yu,Yinghua;Zhu,Lei[AngewandteChemie-InternationalEdition,2020,vol.59,#41,p.18261-18266][Angew.Chem.,2020,vol.132,#41,p.18418-18423,6]

[2]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2005/94816,2005,A1Locationinpatent:Page/Pagecolumn70

[3]Wittigetal.[JustusLiebigsAnnalenderChemie,1955,vol.594,p.89,111]

[1]CollectionofCzechoslovakChemicalCommunications,1958,vol.23,p.1330,1331,1334

[2]JustusLiebigsAnnalenderChemie,1955,vol.594,p.89,111

[1]JustusLiebigsAnnalenderChemie,1955,vol.594,p.89,111

[1]Lehuede,Jacques;Vierfond,Jean-Michel;Miocque,Marcel[BulletindelaSocieteChimiquedeFrance,1981,vol.2,#5-6,p.185-191]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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SDS
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