Home Other Building Blocks 193818-13-2
193818-13-2,MFCD06657287
Catalog No.:AA003I0A

193818-13-2 | 3-(4-Boc-piperazin-1-yl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$163.00   $114.00
- +
5g
96%
in stock  
$487.00   $341.00
- +
10g
96%
in stock  
$944.00   $661.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003I0A
Chemical Name:
3-(4-Boc-piperazin-1-yl)benzoic acid
CAS Number:
193818-13-2
Molecular Formula:
C16H22N2O4
Molecular Weight:
306.3569
MDL Number:
MFCD06657287
SMILES:
O=C(N1CCN(CC1)c1cccc(c1)C(=O)O)OC(C)(C)C
Properties
Properties
 
BP:
434.5°C at 760 mmHg  
Form:
Solid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
411  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
2.2  

Downstream Synthesis Route

[1]CurrentPatentAssignee:ASTRAZENECAPLC-US2008/153812,2008,A1Locationinpatent:Page/Pagecolumn111

[1]CurrentPatentAssignee:SIENABIOTECHS.P.A.SOCIETA'INLIQUIDAZIONE-WO2009/74300,2009,A2Locationinpatent:Page/Pagecolumn29-30;13

[1]CurrentPatentAssignee:SIENABIOTECHS.P.A.SOCIETA'INLIQUIDAZIONE-WO2009/74300,2009,A2Locationinpatent:Page/Pagecolumn29;13

[2]CurrentPatentAssignee:NERVIANOMEDICALSCIENCESS.R.L.-WO2010/69966,2010,A1Locationinpatent:Page/Pagecolumn80

[1]Locationinpatent:schemeortableConte,Immacolata;Giuliano,Claudio;Ercolani,Caterina;Narjes,Frank;Koch,Uwe;Rowley,Michael;Altamura,Sergio;Francesco,RaffaeleDe;Neddermann,Petra;Migliaccio,Giovanni;Stansfield,Ian[BioorganicandMedicinalChemistryLetters,2009,vol.19,#6,p.1779-1783]

[2]Krysko,AndreiA.;Samoylenko,GeorgiyV.;Polishchuk,PavelG.;Fonari,MarinaS.;Kravtsov,VictorCh.;Andronati,SergeiA.;Kabanova,TatyanaA.;Lipkowski,Janusz;Khristova,TetianaM.;Kuz'Min,VictorE.;Kabanov,VladimirM.;Krysko,OlgaL.;Varnek,AlexandreA.[BioorganicandMedicinalChemistry,2013,vol.21,#15,p.4646-4661]

[1]Locationinpatent:schemeortableConte,Immacolata;Giuliano,Claudio;Ercolani,Caterina;Narjes,Frank;Koch,Uwe;Rowley,Michael;Altamura,Sergio;Francesco,RaffaeleDe;Neddermann,Petra;Migliaccio,Giovanni;Stansfield,Ian[BioorganicandMedicinalChemistryLetters,2009,vol.19,#6,p.1779-1783]

Literature
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SDS
Tags:193818-13-2 Molecular Formula|193818-13-2 MDL|193818-13-2 SMILES|193818-13-2 3-(4-Boc-piperazin-1-yl)benzoic acid