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78348-46-6,MFCD02211013
Catalog No.:AA005M7Q

78348-46-6 | 1-Benzoylpiperidine-2-carboxylic acid

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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:
AA005M7Q
Chemical Name:
1-Benzoylpiperidine-2-carboxylic acid
CAS Number:
78348-46-6
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD02211013
SMILES:
OC(=O)C1CCCCN1C(=O)c1ccccc1
NSC Number:
618241
Properties
Properties
 
BP:
438.8°C at 760 mmHg  
Form:
Solid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
297  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.5  

Downstream Synthesis Route

[1]HelveticaChimicaActa,1957,vol.40,p.576,577

[1]Amino;Nishi;Izawa[BulletinoftheChemicalSocietyofJapan,1991,vol.64,#2,p.620-623]

[2]Amino;Nishi;Izawa[BulletinoftheChemicalSocietyofJapan,1991,vol.64,#2,p.620-623]

[1]Hasebe,Masato;Tsuchiya,Takashi[TetrahedronLetters,1986,vol.27,#28,p.3239-3242]

[1]Nakai,Hideo;Sato,Yasuhiko;Mizoguchi,Tomishige;Kanaoka,Yuichi[Synthesis,1982,#2,p.141-143]

[1]Deur,ChristopherJ.;Miller,MichaelW.;Hegedus,LouisS.[JournalofOrganicChemistry,1996,vol.61,#8,p.2871-2876]

[2]Holland,HerbertL.;Andreana,PeterR.;Salehzadeh-Asl,Reza;VanVliet,Aaron;Ihasz,NancyJ.;Brown,FrancesM.[MonatsheftefurChemie,2000,vol.131,#6,p.667-672]

Literature

Title: Metabolic fate of the antipsychotic agent, mazapertine, in man--API-MS and MS/MS identification of urinary metabolites.

Journal: European journal of drug metabolism and pharmacokinetics 20070101

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