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96449-91-1,MFCD01934736
Catalog No.:AA005TWH

96449-91-1 | 1-(4-Methylbenzyl)-5-oxopyrrolidine-3-carboxylic acid

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1g
95%
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$172.00   $120.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA005TWH
Chemical Name:
1-(4-Methylbenzyl)-5-oxopyrrolidine-3-carboxylic acid
CAS Number:
96449-91-1
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD01934736
SMILES:
OC(=O)C1CN(C(=O)C1)Cc1ccc(cc1)C
Properties
Computed Properties
 
Complexity:
308  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
0.8  

Downstream Synthesis Route

[1]Imamura,Shinichi;Ishihara,Yuji;Hattori,Taeko;Kurasawa,Osamu;Matsushita,Yoshihiro;Sugihara,Yoshihiro;Kanzaki,Naoyuki;Iizawa,Yuji;Baba,Masanori;Hashiguchi,Shohei[ChemicalandPharmaceuticalBulletin,2004,vol.52,#1,p.63-73]

[2]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-EP1180513,2002,A1Locationinpatent:Referentialexample59

96449-91-1   
1-(4-methyl-benzyl)-5-oxo-pyrrolidine-3-carbonylchloride 

[1]Imamura,Shinichi;Ishihara,Yuji;Hattori,Taeko;Kurasawa,Osamu;Matsushita,Yoshihiro;Sugihara,Yoshihiro;Kanzaki,Naoyuki;Iizawa,Yuji;Baba,Masanori;Hashiguchi,Shohei[ChemicalandPharmaceuticalBulletin,2004,vol.52,#1,p.63-73]

96449-91-1   
N-3-(4-benzylpiperidin-1-yl)propyl-1-(4-methylbenzyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide 

[1]Imamura,Shinichi;Ishihara,Yuji;Hattori,Taeko;Kurasawa,Osamu;Matsushita,Yoshihiro;Sugihara,Yoshihiro;Kanzaki,Naoyuki;Iizawa,Yuji;Baba,Masanori;Hashiguchi,Shohei[ChemicalandPharmaceuticalBulletin,2004,vol.52,#1,p.63-73]

79-37-8    96449-91-1   
N-3-(4-Benzyl-1-piperidinyl)propylanilinedihydrochloride 
 
N-3-(4-benzylpiperidin-1-yl)propyl-1-(4-methylbenzyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide 

[1]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-EP1180513,2002,A1Locationinpatent:Example82

19335-11-6    96449-91-1   
C20H20N4O2 

[1]CurrentPatentAssignee:CHINESEACADEMYOFMEDICALSCIENCES-CN103450163,2017,BLocationinpatent:Paragraph0079;0080;0081

Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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Tags:96449-91-1 Molecular Formula|96449-91-1 MDL|96449-91-1 SMILES|96449-91-1 1-(4-Methylbenzyl)-5-oxopyrrolidine-3-carboxylic acid