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2818-07-7,MFCD02179576
Catalog No.:AA00BG08

2818-07-7 | Dimethyl 1h-pyrrole-2,4-dicarboxylate

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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00BG08
Chemical Name:
Dimethyl 1h-pyrrole-2,4-dicarboxylate
CAS Number:
2818-07-7
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
MDL Number:
MFCD02179576
SMILES:
COC(=O)c1[nH]cc(c1)C(=O)OC
Properties
Computed Properties
 
Complexity:
216  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
0.8  

Upstream Synthesis Route

[1]Patent:WO2010/2472,2010,A1,.Locationinpatent:Page/Pagecolumn118-119

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,#3,p.657-661

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,#3,p.657-661

[1]GazzettaChimicaItaliana,1956,vol.86,p.757,762

[1]GazzettaChimicaItaliana,1956,vol.86,p.757,762

Downstream Synthesis Route

[1]Nicolaus;Mangoni[GazzettaChimicaItaliana,1956,vol.86,p.757,762]

[1]Meyers,KennethM.;Mendez-Andino,Jose;Colson,Anny-Odile;Hu,X.Eric;Wos,JohnA.;Mitchell,MariaC.;Hodge,Karen;Howard,Jeremy;Paris,JenniferL.;Dowty,MartinE.;Obringer,CindyM.;Reizes,Ofer[BioorganicandMedicinalChemistryLetters,2007,vol.17,#3,p.657-661]

[1]Meyers,KennethM.;Mendez-Andino,Jose;Colson,Anny-Odile;Hu,X.Eric;Wos,JohnA.;Mitchell,MariaC.;Hodge,Karen;Howard,Jeremy;Paris,JenniferL.;Dowty,MartinE.;Obringer,CindyM.;Reizes,Ofer[BioorganicandMedicinalChemistryLetters,2007,vol.17,#3,p.657-661]

[1]Meyers,KennethM.;Mendez-Andino,Jose;Colson,Anny-Odile;Hu,X.Eric;Wos,JohnA.;Mitchell,MariaC.;Hodge,Karen;Howard,Jeremy;Paris,JenniferL.;Dowty,MartinE.;Obringer,CindyM.;Reizes,Ofer[BioorganicandMedicinalChemistryLetters,2007,vol.17,#3,p.657-661]

Literature
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Tags:2818-07-7 Molecular Formula|2818-07-7 MDL|2818-07-7 SMILES|2818-07-7 Dimethyl 1h-pyrrole-2,4-dicarboxylate