Ethyl 5-cyanoindole-2-carboxylate
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Ethyl 5-cyanoindole-2-carboxylate
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CAS No:
105191-13-7
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Formula:
C12H10N2O2
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Chemical Name:
Ethyl 5-cyanoindole-2-carboxylate
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Synonyms:
Ethyl 5-cyanoindole-2-carboxylate;Methyl5-cyano-1H-indole-2-carboxylate;1H-Indole-2-carboxylic acid, 5-cyano-, ethyl ester;ETHYL 5-CYANO-1H-INDOLE-2-CARBOXYLATE;5-CYANOINDOLE-2-CARBOXYLIC ACID ETHYL ESTER;5-CYANO-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER
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CAS No:
Characteristics
65.9
2.9
1.28±0.1 g/cm3(Predicted)
419.3±25.0 °C(Predicted)
207.4±23.2 °C
1.623
3.06E-07mmHg at 25°C
Ethyl 5-cyanoindole-2-carboxylate Use and Manufacturing
5-Cyanoindole-2-carboxylic acid (140): A suspension of CuCN (27 mg, 0.3 mmol) and ethyl 5-bromoindole-2-carboxylate 138 in 500 μL of DMF was stirred at 155° C. for 7 h. Chromatography (3.x.15 cm, SiO2, 20percent EtOAc/hexane) gave ethyl 5-cyanoindole-2-carboxylate 139 (34 mg, 63percent) as a white solid: mp 181-182° C.
Computed Properties
Molecular Weight:214.22
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:214.074227566
Monoisotopic Mass:214.074227566
Topological Polar Surface Area:65.9
Heavy Atom Count:16
Complexity:320
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Ethyl 5-cyanoindole-2-carboxylate
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