Ethyl 3-cyano-1H-pyrrole-2-carboxylate
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Ethyl 3-cyano-1H-pyrrole-2-carboxylate
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CAS No:
7126-44-5
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Formula:
C8H8N2O2
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Chemical Name:
Ethyl 3-cyano-1H-pyrrole-2-carboxylate
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Synonyms:
1H-Pyrrole-2-carboxylic acid,3-cyano-,ethyl ester;Pyrrole-2-carboxylic acid,3-cyano-,ethyl ester;Ethyl 3-cyano-1H-pyrrole-2-carboxylate
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CAS No:
Ethyl 3-cyano-1H-pyrrole-2-carboxylate Use and Manufacturing
To a solution of lb (1.62 g) in EtOAc (30 ml) at 60°C was added dropwise a solution of 0.5 M NH3 in dioxane (22 ml). The mixture was refluxed for 18 h. After cooled to room temperature, the solvents were removed. The residue was purified by silica gel chromatography to afford light yellow solid 88a (0.37 g).Step 88A[00269] To a solution of lb (1.62 g) in EtOAc (30 ml) at 60°C was added dropwise a solution of 0.5 M NH3 in dioxane (22 ml). The mixture was refluxed for 18 h. After cooled to room temperature, the solvents were removed. The residue was purified by silica gel chromatography to afford light yellow solid 88a (0.37 g).
Computed Properties
Molecular Weight:164.16
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:164.058577502
Monoisotopic Mass:164.058577502
Topological Polar Surface Area:65.9
Heavy Atom Count:12
Complexity:218
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Ethyl 3-cyano-1H-pyrrole-2-carboxylate
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