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Home Deuterated Building Blocks 77940-94-4
77940-94-4,MFCD06659081
Catalog No.:AA0056FB

77940-94-4 | 3-Piperidinobenzoic acid

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250mg
95%
in stock  
$181.00   $127.00
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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:
AA0056FB
Chemical Name:
3-Piperidinobenzoic acid
CAS Number:
77940-94-4
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD06659081
SMILES:
OC(=O)c1cccc(c1)N1CCCCC1
Properties
Properties
 
BP:
395.5°C at 760 mmHg  
Form:
Solid  
MP:
120℃  

Computed Properties
 
Complexity:
224  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.5  

Downstream Synthesis Route

[1]Scholtz;Wassermann[ChemischeBerichte,1907,vol.40,p.857]

[2]Scholtz;Wassermann[ChemischeBerichte,1907,vol.40,p.857]

77940-94-4    164343-31-1   
N-((3R)-1-tert-Butylcarbonylmethyl-2,3-dihydro-2-oxo-5-(pyridin-2-yl)-1H-1,4-benzodiazepin-3-yl)-N'-(3-(1-piperidinyl)phenyl)urea 

[1]Semple,Graeme;Ryder,Hamish;Rooker,DavidP.;Batt,AndrzejR.;Kendrick,DavidA.;Szelke,Michael;Ohta,Mitsuaki;Satoh,Masato;Nishida,Akito;Akuzawa,Shinobu;Miyata,Keiji[JournalofMedicinalChemistry,1997,vol.40,#3,p.331-341]

[1]Semple,Graeme;Ryder,Hamish;Rooker,DavidP.;Batt,AndrzejR.;Kendrick,DavidA.;Szelke,Michael;Ohta,Mitsuaki;Satoh,Masato;Nishida,Akito;Akuzawa,Shinobu;Miyata,Keiji[JournalofMedicinalChemistry,1997,vol.40,#3,p.331-341]

1000016-82-9    77940-94-4   
N-{4-methyl-3-1-oxo-7-(2-pyrrolidm-1-ylemoxy)isoquinolin-2(1H)-ylphenyl}-3-piperidin-1-ylbenzamide 

[1]CurrentPatentAssignee:ASTRAZENECAPLC-WO2007/149031,2007,A1Locationinpatent:Page/Pagecolumn55-56

[1]Semple,Graeme;Ryder,Hamish;Rooker,DavidP.;Batt,AndrzejR.;Kendrick,DavidA.;Szelke,Michael;Ohta,Mitsuaki;Satoh,Masato;Nishida,Akito;Akuzawa,Shinobu;Miyata,Keiji[JournalofMedicinalChemistry,1997,vol.40,#3,p.331-341]

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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SDS
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