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54492-95-4

54492-95-4 Structure

54492-95-4 Structure
IdentificationBack Directory
[Name]

4-Benzo[b]thien-2-ylbenzenamine
[CAS]

54492-95-4
[Synonyms]

4-(1-Benzothien-2-yl)Aniline
4-Benzo[b]thien-2-ylbenzenamine
Benzenamine, 4-benzo[b]thien-2-yl-
[Molecular Formula]

C14H11NS
[MDL Number]

MFCD14636565
[MOL File]

54492-95-4.mol
[Molecular Weight]

225.31
Chemical PropertiesBack Directory
[InChI]

InChI=1S/C14H11NS/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9H,15H2
[InChIKey]

KCZKJUGTTGALLE-UHFFFAOYSA-N
[SMILES]

C1(N)=CC=C(C2SC3=CC=CC=C3C=2)C=C1
Hazard InformationBack Directory
[Uses]

Used as a pharmaceutical intermediate for laboratory research.
[Synthesis]

4-Benzo[b]thiophen-2-yl-phenylamine was prepared according to the following procedure. A mixture of 4-iodoaniline (2.5 g, 11.2 mmol), 2-benzothio-pheneboronic acid (2.0 g, 11.2 mmol) and sodium carbonate (1.2 g, 11.2 mmol) in toluene (60 mL), ethanol (10 mL) and water (1 mL) was degassed with nitrogen for 5 min. A catalytic amount of Pd(dppf)2Cl2 was added, and the mixture was heated to reflux for 3 h. The mixture was cooled, adsorbed onto silica gel and purified by flash chromatography, 4-benzo[b]thiophen-2-yl-phenylamine.
4-Benzo[b]thien-2-ylbenzenamine synthesis
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