Home Other Building Blocks 13603-25-3
13603-25-3,MFCD03426127
Catalog No.:AA009AX8

13603-25-3 | 3-Benzylpiperidine

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Purity
Availability
Price(USD)
Quantity
  
100mg
96%
in stock  
$31.00   $22.00
- +
250mg
96%
in stock  
$74.00   $52.00
- +
1g
98%(GC)
in stock  
$226.00   $158.00
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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:
AA009AX8
Chemical Name:
3-Benzylpiperidine
CAS Number:
13603-25-3
Molecular Formula:
C12H17N
Molecular Weight:
175.2701
MDL Number:
MFCD03426127
SMILES:
C1CCC(CN1)Cc1ccccc1
Properties
Computed Properties
 
Complexity:
138  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.5  

Downstream Synthesis Route

[1]CurrentPatentAssignee:Novartis(w/oSandoz);NOVARTISAG-WO2013/102242,2013,A1Locationinpatent:Page/Pagecolumn93

[2]Ablordeppey,SethY;Fischer,JamesB;Law;Glennon,RichardA[Bioorganicandmedicinalchemistry,2002,vol.10,#8,p.2759-2765]

[3]Liu,Zhi-Yun;Wen,Zhi-Hui;Wang,Xiao-Chen[AngewandteChemie-InternationalEdition,2017,vol.56,#21,p.5817-5820][Angew.Chem.,2017,vol.129,p.5911-5914,4]

[4]Tschitschibabin[ChemischeBerichte,1903,vol.36,p.2711]

[5]CurrentPatentAssignee:SANOFI-US4069256,1978,ACurrentPatentAssignee:SANOFI-US4216326,1980,ACurrentPatentAssignee:SANOFI-US4308382,1981,A

[1]Walters;McElvain[JournaloftheAmericanChemicalSociety,1933,vol.55,p.4625,4626]

[2]Tschitschibabin[ChemischeBerichte,1903,vol.36,p.2711]

[1]Ding,CharlesZ.;Rovnyak,GeorgeC.;Misra,RajN.;Grover,GaryJ.;Miller,ArthurV.;Ahmed,SyedZ.;Kelly,Yolanda;Normandin,DianeE.;Sleph,PaulG.;Atwal,KarnailS.[JournalofMedicinalChemistry,1999,vol.42,#18,p.3711-3717]

13603-25-3    14469-83-1   
1-(5-Phenylpentyl)-3-benzylpiperidine 

[1]Ablordeppey,SethY;Fischer,JamesB;Law;Glennon,RichardA[Bioorganicandmedicinalchemistry,2002,vol.10,#8,p.2759-2765]

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: From rigid cyclic templates to conformationally stabilized acyclic scaffolds. Part II: Acyclic replacements for the (3S)-3-benzylpiperidine in a series of potent CCR3 antagonists.

Journal: Bioorganic & medicinal chemistry letters 20080115

Title: Discovery of CC chemokine receptor-3 (CCR3) antagonists with picomolar potency.

Journal: Journal of medicinal chemistry 20050324

Title: Discovery of N-propylurea 3-benzylpiperidines as selective CC chemokine receptor-3 (CCR3) antagonists.

Journal: Bioorganic & medicinal chemistry letters 20040405

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SDS
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