3-AMINOETHYLTHIOPHENE HCL

Thiophen-3-yl-acetonitrile (2.0 g, 16.2 mmol)Soluble in tetrahydrofuran (36mL), The borane-dimethyl sulfide complex (3.0 mL, 30.4 mmol) was slowly added, and the reaction mixture was heated to reflux for 16 hours. At room temperature, the reaction was quenched by the slow addition of methanol.Then add saturated hydrogen chloride / methanol solution (10mL), Stir at room temperature for 20 minutes, concentrate to give a solid initial product.Wash with diethyl ether (20 mL).The compound 41A was obtained as a white solid (2.5 g, yield: 94percent).Preparation 1; 2-Thiophene-3-yl-ethylamine hydrochloride; Slowly add borane methyl sulfide complex (30.4 mL, 304.4 mmol) to a solution of thiophen-3-yl-acetonitrile (25.0 g, 203.0 mmol) in tetrahydrofuran (450 mL). Heat the reaction at reflux for 16 h and then cool to RT. Slowly quench the reaction with methanol (50 mL) until no foaming is observed. To this mixture slowly add methanol (100 mL) which is saturated with hydrogen chloride. Stir the mixture at RT for 20 min before concentrating in vacuo. Add methanol (100 mL) to the mixture and concentrate in vacuo. Suspend the resulting solid in diethyl ether (200 mL) and filter to afford 31.1 g (94percent) of the crude title compound. MS/ES m/z 128.3 [M+H]Step 1. 2-Thiophene-3-yl-ethylamine hydrochloride; Slowly add borane methyl sulfide complex (30.4 mL, 304.4 mmol) to a solution of thiophen-3-yl-acetonitrile (25.0 g, 203.0 mmol) in tetrahydrofuran (450 mL). Heat the reaction at reflux for 16 h and then cool to RT. Slowly quench the reaction with methanol (50 mL) until no foaming is observed. To this mixture slowly add methanol (100 mL) which is saturated with hydrogen chloride. Stir the mixture at RT for 20 min before concentrating in vacuo. Add methanol (100 mL) to the mixture and concentrate in vacuo. Suspend the resulting solid in diethyl ether (200 mL) and filter to afford 31.1 g (94percent) of the crude title compound. MS/ES m/z 128.3 [M+H]

Molecular Weight:163.67
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:163.0222482
Monoisotopic Mass:163.0222482
Topological Polar Surface Area:54.3
Heavy Atom Count:9
Complexity:65.5
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes