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128740-03-4,MFCD09953121
Catalog No.:AA000Y9J

128740-03-4 | Ethyl allyl(2-oxoethyl)carbamate

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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:
AA000Y9J
Chemical Name:
Ethyl allyl(2-oxoethyl)carbamate
CAS Number:
128740-03-4
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
MDL Number:
MFCD09953121
SMILES:
C=CCN(C(=O)OCC)CC=O
Properties
Properties
 
Form:
Liquid  
Storage:
Inert atmosphere;-20 ℃;  

Computed Properties
 
Complexity:
168  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
6  
XLogP3:
0.7  

Upstream Synthesis Route

[1]Patent:WO2017/21920,2017,A1,

[1]Patent:WO2017/21920,2017,A1,

Downstream Synthesis Route

[1]BioorganicandMedicinalChemistryLetters,1999,vol.9,p.2491-2496

[2]Patent:WO2013/14448,2013,A1

[3]Patent:WO2017/21920,2017,A1

128740-03-4   
5-imidazol-1-yl-3-(1-methyl-octahydro-pyrrolo3,4-<i>b</i>pyrrol-2-ylmethyl)-1<i>H</i>-indole 

[1]BioorganicandMedicinalChemistryLetters,1999,vol.9,p.2491-2496

128740-03-4   
3-(1-methyl-octahydro-pyrrolo3,4-<i>b</i>pyrrol-2-ylmethyl)-5-1,2,4triazol-4-yl-1<i>H</i>-indole 

[1]BioorganicandMedicinalChemistryLetters,1999,vol.9,p.2491-2496

128740-03-4   
2-(5-imidazol-1-yl-1<i>H</i>-indol-3-ylmethyl)-1-methyl-hexahydro-pyrrolo3,4-<i>b</i>pyrrole-5-carboxylicacidethylester 

[1]BioorganicandMedicinalChemistryLetters,1999,vol.9,p.2491-2496

128740-03-4   
2-(5-imidazol-1-yl-1<i>H</i>-indol-3-ylmethyl)-hexahydro-pyrrolo3,4-<i>b</i>pyrrole-5-carboxylicacidethylester 

[1]BioorganicandMedicinalChemistryLetters,1999,vol.9,p.2491-2496

Literature
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