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5447-47-2,MFCD00454417
Catalog No.:AA00DITU

5447-47-2 | 2,3-Dihydro-1h-cyclopenta[b]quinoline-9-carboxylic acid

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1g
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$245.00   $172.00
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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:
AA00DITU
Chemical Name:
2,3-Dihydro-1h-cyclopenta[b]quinoline-9-carboxylic acid
CAS Number:
5447-47-2
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD00454417
SMILES:
OC(=O)c1c2CCCc2nc2c1cccc2
NSC Number:
15801
Properties
Properties
 
BP:
405.7°C at 760 mmHg  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
292  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.4  

Downstream Synthesis Route

[1]Lv,Qinghua;Fang,Lizhen;Wang,Pengfei;Lu,Chenjuan;Yan,Fulin[MonatsheftefurChemie,2013,vol.144,#3,p.391-394]

[2]Perkin;Plant[JournaloftheChemicalSociety,1928,p.643]

[3]Borsche[JustusLiebigsAnnalenderChemie,1910,vol.377,p.119]

[4]Lin,Xionghao;Sajith,AyyiliathM;Wang,Songping;Kumari,Namita;Choy,MengS;Ahmad,Asrar;Cadet,DanaR.;Gu,Xinbin;Ivanov,AndreyI.;Peti,Wolfgang;Kulkarni,Amol;Nekhai,Sergei[ACSInfectiousDiseases,2020,vol.6,#12,p.3190-3211]

5447-47-2   
2-chloro-N-(ethylcarbamoyl)propanamide 
 
1-(3-ethylureido)-1-oxopropan-2-yl2,3-dihydro-1H-cyclopentabquinoline-9-carboxylate 

[1]CurrentPatentAssignee:HALDATHERAPEUTICSOPCO-WO2020/146470,2020,A1Locationinpatent:Page/Pagecolumn3;232;243-244

5447-47-2   
(E)-3-(3,4-dimethoxybenzylidene)-N-(2-(3-(4-(trifluoromethyl)phenyl)flureido)ethyl)-2,3-dihydro-1H-cyclopentabquinoline-9-carboxamide 

[1]Lin,Xionghao;Sajith,AyyiliathM;Wang,Songping;Kumari,Namita;Choy,MengS;Ahmad,Asrar;Cadet,DanaR.;Gu,Xinbin;Ivanov,AndreyI.;Peti,Wolfgang;Kulkarni,Amol;Nekhai,Sergei[ACSInfectiousDiseases,2020,vol.6,#12,p.3190-3211]

5447-47-2   
(E)-3-(3,4-dimethoxybenzylidene)-N-(2-(3-(2,2,2-trifluoroethyl)flureido)ethyl)-2,3-dihydro-1H-cyclopentabquinoline-9-carboxamide 

[1]Lin,Xionghao;Sajith,AyyiliathM;Wang,Songping;Kumari,Namita;Choy,MengS;Ahmad,Asrar;Cadet,DanaR.;Gu,Xinbin;Ivanov,AndreyI.;Peti,Wolfgang;Kulkarni,Amol;Nekhai,Sergei[ACSInfectiousDiseases,2020,vol.6,#12,p.3190-3211]

5447-47-2   
(E)-3-(3,4-dimethoxybenzylidene)-N-(2-(3-ethylureido)ethyl)-2,3-dihydro-1H-cyclopentabquinoline-9-carboxamide 

[1]Lin,Xionghao;Sajith,AyyiliathM;Wang,Songping;Kumari,Namita;Choy,MengS;Ahmad,Asrar;Cadet,DanaR.;Gu,Xinbin;Ivanov,AndreyI.;Peti,Wolfgang;Kulkarni,Amol;Nekhai,Sergei[ACSInfectiousDiseases,2020,vol.6,#12,p.3190-3211]

Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

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