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128259-47-2,MFCD06797056
Catalog No.:AA000XUH

128259-47-2 | 1-Benzylpyrrole-3-carboxylic acid ethyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
200mg
95%
in stock  
$109.00   $77.00
- +
1g
>95.0%(GC)
in stock  
$110.00   $77.00
- +
5g
>95.0%(GC)
in stock  
$331.00   $232.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000XUH
Chemical Name:
1-Benzylpyrrole-3-carboxylic acid ethyl ester
CAS Number:
128259-47-2
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
MDL Number:
MFCD06797056
SMILES:
CCOC(=O)c1ccn(c1)Cc1ccccc1
Properties
Properties
 
Storage:
2-8℃;  

Computed Properties
 
Complexity:
249  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
5  
XLogP3:
2.5  

Downstream Synthesis Route

[1]Synthesis,1994,vol.1,p.465-467

[1]Synthesis,2010,p.3346-3352

[1]ChemicalCommunications,2017,vol.53,p.4002-4005

3783-61-7   
ethylrel-(3R,4S)-1-benzyl-4-hydroxypyrrolidine-3-carboxylate 
  128259-47-2 

[1]AlYahyaei,Balqees;Chu,Shuyu;Elliott,RuanM.;Howlin,BrendanJ.;Imperato,Manuel;Lopez,Arnaud;MasClaret,Eduard;Meira,LisianeB.;Whelligan,DanielK.[Bioorganicandmedicinalchemistry,2020]

[1]AlYahyaei,Balqees;Chu,Shuyu;Elliott,RuanM.;Howlin,BrendanJ.;Imperato,Manuel;Lopez,Arnaud;MasClaret,Eduard;Meira,LisianeB.;Whelligan,DanielK.[Bioorganicandmedicinalchemistry,2020]

Literature
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SDS
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Tags:128259-47-2 Molecular Formula|128259-47-2 MDL|128259-47-2 SMILES|128259-47-2 1-Benzylpyrrole-3-carboxylic acid ethyl ester