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119580-81-3,MFCD12923604
Catalog No.:AA008VDZ

119580-81-3 | 4-Formyl-1-methyl-1h-pyrrole-2-carbonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$172.00   $120.00
- +
5g
95%
in stock  
$685.00   $479.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA008VDZ
Chemical Name:
4-Formyl-1-methyl-1h-pyrrole-2-carbonitrile
CAS Number:
119580-81-3
Molecular Formula:
C7H6N2O
Molecular Weight:
134.1353
MDL Number:
MFCD12923604
SMILES:
O=Cc1cn(c(c1)C#N)C
Properties
Computed Properties
 
Complexity:
181  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
0.2  

Downstream Synthesis Route

[1]Gonsalez-Rosende,Eugenia;Jones,R.Alan;Sepulveda-Arques,Jose;Zaballos-Garcia,Elena[SyntheticCommunications,1988,vol.18,#14,p.1669-1678]

74-90-8    119580-81-3   
(S)-2-hydroxy-2-(5-cyano-1-methyl-3-pyrrolyl)acetonitrile 
 
(R)-(+)-2-hydroxy-2-(5-cyano-1-methyl-3-pyrrolyl)acetonitrile 

[1]Chen,Peiran;Han,Shiqing;Lin,Guoqiang;Huang,Hao;Li,Zuyi[TetrahedronAsymmetry,2001,vol.12,#23,p.3273-3279]

151-50-8    119580-81-3   
2-hydroxy-2-(5-cyano-1-methyl-3-pyrrolyl)acetonitrile 

[1]Chen,Peiran;Han,Shiqing;Lin,Guoqiang;Huang,Hao;Li,Zuyi[TetrahedronAsymmetry,2001,vol.12,#23,p.3273-3279]

[1]Lange,UdoE.W.;Baucke,Dorit;Hornberger,Wilfried;Mack,Helmut;Seitz,Werner;Hoeffken,H.Wolfgang[BioorganicandMedicinalChemistryLetters,2003,vol.13,#12,p.2029-2033]

[2]CurrentPatentAssignee:ABBVIEINC-US6740647,2004,B1Locationinpatent:Pagecolumn49

[1]Lange,UdoE.W.;Baucke,Dorit;Hornberger,Wilfried;Mack,Helmut;Seitz,Werner;Hoeffken,H.Wolfgang[BioorganicandMedicinalChemistryLetters,2003,vol.13,#12,p.2029-2033]

Literature
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