Home Nitro Compounds 5461-32-5
5461-32-5,MFCD00007191
Catalog No.:AA003HQB

5461-32-5 | 2-Nitrophenylpyruvic acid

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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003HQB
Chemical Name:
2-Nitrophenylpyruvic acid
CAS Number:
5461-32-5
Molecular Formula:
C9H7NO5
Molecular Weight:
209.1556
MDL Number:
MFCD00007191
SMILES:
OC(=O)C(=O)Cc1ccccc1[N+](=O)[O-]
NSC Number:
5598
Properties
Properties
 
BP:
379.7°C at 760 mmHg  
Form:
Solid  
MP:
119-120 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
283  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
1.5  

Downstream Synthesis Route

[1]Moriarty,RobertM.;Gupta,SatishC.;Hu,Henry;Berenschot,DanielM.;White,KennethB.[JournaloftheAmericanChemicalSociety,1981,vol.103,#3,p.686-688]

[2]DiCarlo[JournaloftheAmericanChemicalSociety,1944,vol.66,p.1420]May;Mosettig[JournalofOrganicChemistry,1946,vol.11,p.435,438]Bachman;Hoaglin[JournalofOrganicChemistry,1943,vol.8,p.300,311]

[3]Tanaka;Matsuo;Nakanishi;Kataoka;Takase;Otsuki[ChemicalandPharmaceuticalBulletin,1988,vol.36,#7,p.2323-2330]

[4]Hassner,Alfred;Ruse,Margareta;Gottlieb,HugoE.;Cojocaru,Miriam[JournaloftheChemicalSociety.PerkintransactionsI,1988,p.733-738]

[1]Tetrahedron,2005,vol.61,p.12296-12306

[1]CurrentPatentAssignee:MERCKKGAA-WO2006/288,2006,A1Locationinpatent:Page/Pagecolumn65

[2]Stamos,IoannisK.[TetrahedronLetters,1982,vol.23,#4,p.459-462]

[1]Patent:US2010/144805,2010,A1.Locationinpatent:Page/Pagecolumn15;16

[1]AngewandteChemie-InternationalEdition,2015,vol.54,p.4608-4611    Angew.Chem.,2015,vol.127,p.4691-4694,4

Literature

Title: Synthetic fermentation of bioactive non-ribosomal peptides without organisms, enzymes or reagents.

Journal: Nature chemistry 20141001

Title: Asymmetric organocatalytic direct aldol reactions of ketones with alpha-keto acids and their application to the synthesis of 2-hydroxy-gamma-butyrolactones.

Journal: The Journal of organic chemistry 20071221

Title: Iron-catalyzed C2-C3 bond cleavage of phenylpyruvate with O2: insight into aliphatic C-C bond-cleaving dioxygenases.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20070101

Title: The amide hydrogen of (-)-indolactam-V and benzolactam-V8's plays a critical role in protein kinase C binding and tumor-promoting activities.

Journal: Bioorganic & medicinal chemistry letters 20010312

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SDS
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