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14178-18-8,MFCD00442989
Catalog No.:AA001H3K

14178-18-8 | 2-(Benzyloxy)nicotinic acid

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100mg
95%
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$613.00   $429.00
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250mg
95%
in stock  
$891.00   $624.00
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1g
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$2,138.00   $1,497.00
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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:
AA001H3K
Chemical Name:
2-(Benzyloxy)nicotinic acid
CAS Number:
14178-18-8
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD00442989
SMILES:
OC(=O)c1cccnc1OCc1ccccc1
Properties
Properties
 
BP:
401.6°C at 760 mmHg  
Form:
Solid  
MP:
135-136 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
251  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
2.2  

Downstream Synthesis Route

[1]Aitken,R.Alan;Harper,AndrewD.;Inwood,RyanA.[Molecules,2022,vol.27,#10]

[2]Sieburth,ScottMcN.;Hiel,Gary;Lin,Chao-Hsiung;Kuan,DoraP.[JournalofOrganicChemistry,1994,vol.59,#1,p.80-87]

100-02-7    14178-18-8   
2-Benzyloxy-nicotinicacid4-nitro-phenylester 

[1]Zhmurenko,L.A.;Borisenko,S.A.;Glozman,O.M.;Ostrovskaya,R.U.;Burov,Yu.V.;Zagorevskii,V.A.[PharmaceuticalChemistryJournal,1980,vol.14,#9,p.612-617][Khimiko-FarmatsevticheskiiZhurnal,1980,vol.14,#9,p.49-55]

[1]Sieburth,ScottMcN.;Hiel,Gary;Lin,Chao-Hsiung;Kuan,DoraP.[JournalofOrganicChemistry,1994,vol.59,#1,p.80-87]

[1]Liu,Pingli;Huang,Liang;Faul,MargaretM.[TetrahedronLetters,2007,vol.48,#41,p.7380-7382]

[2]Deberardinis,AlbertM.;Madden,DanielJ.;Banerjee,Upasana;Sail,Vibhavari;Raccuia,DanielS.;DeCarlo,Daniel;Lemieux,StevenM.;Meares,Adam;Hadden,M.Kyle[JournalofMedicinalChemistry,2014,vol.57,#9,p.3724-3736]

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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Tags:14178-18-8 Molecular Formula|14178-18-8 MDL|14178-18-8 SMILES|14178-18-8 2-(Benzyloxy)nicotinic acid