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133747-57-6,MFCD00716971
Catalog No.:AA00807R

133747-57-6 | 5-Oxo-1-p-tolyl-pyrrolidine-3-carboxylic acid

Pack Size
Purity
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Price(USD)
Quantity
  
1g
98%
in stock  
$70.00   $49.00
- +
5g
98%
in stock  
$187.00   $131.00
- +
10g
98%
in stock  
$336.00   $235.00
- +
25g
98%
in stock  
$610.00   $427.00
- +
100g
98%
in stock  
$1,640.00   $1,148.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00807R
Chemical Name:
5-Oxo-1-p-tolyl-pyrrolidine-3-carboxylic acid
CAS Number:
133747-57-6
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD00716971
SMILES:
OC(=O)C1CN(C(=O)C1)c1ccc(cc1)C
Properties
Computed Properties
 
Complexity:
295  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
0.9  

Downstream Synthesis Route

[1]Watanabe,S.;Ogawa,K.;Ohno,T.;Yano,S.;Yamada,H.;Shirasaka,T.[EuropeanJournalofMedicinalChemistry,1994,vol.29,#9,p.675-686]

[2]Haldar,Pranab;Barman,Gopa;Ray,JayantaK.[Tetrahedron,2007,vol.63,#14,p.3049-3056]

[3]Altamimi,AbdulmalikSalehAlfawaz;Bawa,Sandhya;Athar,Fareeda;Hassan,MdQuamrul;Riadi,Yassine;Afzal,Obaid[ChemicalBiologyandDrugDesign,2020,vol.96,#6,p.1418-1432]

[4]Kharchenko;Detistov;Orlov[ChemistryofHeterocyclicCompounds,2008,vol.44,#5,p.600-605][Khim.Geterotsikl.Soedin.,2008,#5,p.758-764,7]

[5]Scharfenberg[JustusLiebigsAnnalenderChemie,1889,vol.254,p.150]

[6]Paytashetal.[JournaloftheAmericanChemicalSociety,1950,vol.72,p.1415]

[7]CurrentPatentAssignee:OTSUKAHOLDINGSCOLTD-US5145865,1992,A

[8]Locationinpatent:schemeortablePackiarajan,Mathivanan;MazzaFerreira,ChristineG.;Hong,Sang-Phyo;White,AndrewD.;Chandrasena,Gamini;Pu,Xiaosui;Brodbeck,RobbinM.;Robichaud,AlbertJ.[BioorganicandMedicinalChemistryLetters,2012,vol.22,#17,p.5658-5662]

[9]CurrentPatentAssignee:CANCERRESEARCHUK-WO2016/124938,2016,A1Locationinpatent:Paragraph00248-00250

[10]Basu,Sujay;Barawkar,DineshA.;Ramdas,Vidya;Waman,Yogesh;Patel,Meena;Panmand,Anil;Kumar,Santosh;Thorat,Sachin;Bonagiri,Rajesh;Jadhav,Dilip;Mukhopadhyay,Partha;Prasad,Vandna;Reddy,B.Srinivasa;Goswami,Arnab;Chaturvedi,Sandhya;Menon,Suraj;Quraishi,Azfar;Ghosh,Indraneel;Dusange,Sushant;Paliwal,Shalini;Kulkarni,Abhay;Karande,Vikas;Thakre,Rhishikesh;Bedse,Gaurav;Rouduri,Sreekanth;Gundu,Jayasagar;Palle,VenkataP.;Chugh,Anita;Mookhtiar,KasimA.[EuropeanJournalofMedicinalChemistry,2017,vol.127,p.986-996]

[11]Takasaki,Ichiro;Ogashi,Haruna;Okada,Takuya;Shimodaira,Ayaka;Hayakawa,Daichi;Watanabe,Ai;Miyata,Atsuro;Kurihara,Takashi;Gouda,Hiroaki;Toyooka,Naoki[EuropeanJournalofMedicinalChemistry,2020,vol.186]

[12]Afzal,Obaid;Altamimi,AbdulmalikSalehAlfawaz;Hassan,MdQuamrul;Riadi,Yassine;Shahroz,MirMohammad;Sharma,HemantKumar[Molecules,2021,vol.26,#8]

[1]Watanabe,S.;Ogawa,K.;Ohno,T.;Yano,S.;Yamada,H.;Shirasaka,T.[EuropeanJournalofMedicinalChemistry,1994,vol.29,#9,p.675-686]

[2]CurrentPatentAssignee:CANCERRESEARCHUK-WO2016/124938,2016,A1Locationinpatent:Paragraph00251-00253

133747-57-6    51-45-6   
N-2-(1H-imidazol-4-yl)ethyl-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide 

[1]Takasaki,Ichiro;Ogashi,Haruna;Okada,Takuya;Shimodaira,Ayaka;Hayakawa,Daichi;Watanabe,Ai;Miyata,Atsuro;Kurihara,Takashi;Gouda,Hiroaki;Toyooka,Naoki[EuropeanJournalofMedicinalChemistry,2020,vol.186]

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:133747-57-6 Molecular Formula|133747-57-6 MDL|133747-57-6 SMILES|133747-57-6 5-Oxo-1-p-tolyl-pyrrolidine-3-carboxylic acid