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CAS Number: 52505-46-1
ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate

Structure

ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate
Name: ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate
Synonyms:
General Information
Product Number: 52505461
CAS Registry Number: 52505-46-1
Name:
Thieno[2,​3-​b]​pyridine-​2-​carboxylic acid, 3-​amino-​, ethyl ester
3-​Aminothieno[2,​3-​b]​pyridine-​2-​carboxylic acid ethyl ester; Ethyl 3-​amino-​4H-​thieno[2,​3-​b]​pyridine-​2-​carboxylate; Ethyl 3-​aminothieno[2,​3-​b]​pyridine-​2-​carboxylate 
 
Chemical Formula: C10H10N2O2S
Exact Mass: 222.05
Molecular Weight: 222.26
m/z: 222.05 (100.0%), 223.05 (11.8%), 224.04 (4.5%), 224.05 (1.1%)
Elemental Analysis: C, 54.04; H, 4.53; N, 12.60; O, 14.40; S, 14.43
 
InChI: InChI=1S/C10H10N2O2S/c1-2-14-10(13)8-7(11)6-4-3-5-12-9(6)15-8/h3-5H,2,11H2,1H3
InChIKey: HNLWHNQYBCCNLL-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(C2=C(S1)N=CC=C2)N
 
Thermal Properties Value Condition Note
Melting Point 192 °C Solv: methanol (67-56-1) (3)IC
Melting Point 183-184 °C Solv: ligroine (8032-32-4) (2)IC
Melting Point 181-182.5 °C Solv: methanol (67-56-1) (1)IC

Specification

98%

References
  1. (1) Schneller, S. W.; Journal of Heterocyclic Chemistry 1974, V11(6), P975-7 CAPLUS
  2. (2) Guerrera, F.; Farmaco, Edizione Scientifica 1976, V31(1), P21-30 CAPLUS
  3. (3) Beugelmans, Rene; Tetrahedron 1983, V39(24), P4153-61 CAPLUS
  4. (4) Brookings, Daniel Christopher; WO 2004000846 A1 2003 CAPLUS
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