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96449-92-2,MFCD00084925
Catalog No.:AA005TWG

96449-92-2 | 1-(4-Chlorobenzyl)-5-oxopyrrolidine-3-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$135.00   $95.00
- +
5g
95%
in stock  
$469.00   $328.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA005TWG
Chemical Name:
1-(4-Chlorobenzyl)-5-oxopyrrolidine-3-carboxylic acid
CAS Number:
96449-92-2
Molecular Formula:
C12H12ClNO3
Molecular Weight:
253.6816
MDL Number:
MFCD00084925
SMILES:
OC(=O)C1CN(C(=O)C1)Cc1ccc(cc1)Cl
Properties
Properties
 
BP:
496.9°C at 760 mmHg  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
313  
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:
1.1  

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:Referentialexample55

96449-92-2   
1-(4-chloro-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]

96449-92-2   
N-3-(4-benzylpiperidin-1-yl)propyl-1-(4-chlorobenzyl)-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]

226249-29-2   
CH3OH-5%.Et3N 
  96449-92-2   
3-(aminomethyl)-1-(4-chlorobenzyl)pyrrolidine 

[1]CurrentPatentAssignee:TEIJINLIMITED-US6362177,2002,B1

Literature
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SDS
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Tags:96449-92-2 Molecular Formula|96449-92-2 MDL|96449-92-2 SMILES|96449-92-2 1-(4-Chlorobenzyl)-5-oxopyrrolidine-3-carboxylic acid