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56617-45-9,MFCD01688143
Catalog No.:AA00E9Q0

56617-45-9 | 1-(3-Methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$79.00   $55.00
- +
5g
98%
in stock  
$211.00   $148.00
- +
10g
98%
in stock  
$311.00   $218.00
- +
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:
AA00E9Q0
Chemical Name:
1-(3-Methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CAS Number:
56617-45-9
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD01688143
SMILES:
OC(=O)C1CC(=O)N(C1)c1cccc(c1)C
Properties
Properties
 
BP:
518.8°C at 760 mmHg  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
303  
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]Paytashetal.[JournaloftheAmericanChemicalSociety,1950,vol.72,p.1415]

[2]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]

[3]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]

56617-45-9   
1-(carboxymethyl)-2-1-(3-methylphenyl)-5-oxo-3-pyrrolidinyl-1H-benzimidazol-1-iumchloride 

[1]Mickevičienė,Kristina;Voskienė,Aušra;Mickevičius,Vytautas[ResearchonChemicalIntermediates,2014,vol.40,#4,p.1619-1631]

[1]Mickevičienė,Kristina;Voskienė,Aušra;Mickevičius,Vytautas[ResearchonChemicalIntermediates,2014,vol.40,#4,p.1619-1631]

[1]Mickevičienė,Kristina;Voskienė,Aušra;Mickevičius,Vytautas[ResearchonChemicalIntermediates,2014,vol.40,#4,p.1619-1631]

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: 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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SDS
Tags:56617-45-9 Molecular Formula|56617-45-9 MDL|56617-45-9 SMILES|56617-45-9 1-(3-Methylphenyl)-5-oxopyrrolidine-3-carboxylic acid