4,5,6,7-Tetrahydrothieno[3,2-c]pyridine

This product is an organic compound with the formula C₇H₉SN. The systematic name of this chemical is 4,5,6,7-Tetrahydrothieno[3,2-c]pyridine. It belongs to the product categories of API intermediates; Building Blocks; Thieno[x,x-y]pyridine. Its EINECS number is 259-389-2. With the CAS registry number 54903-50-3, it is also named as Thieno[3,2-c]pyridine, 4,5,6,7-tetrahydro-. In addition, the molecular weight is 139.22.

Physical properties of 4,5,6,7-Tetrahydrothieno[3,2-c]pyridine are: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.95; (4)ACD/LogD (pH 7.4): -0.85; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.09; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 31.48 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 40.15 cm³; (15)Molar Volume: 121.7 cm³; (16)Polarizability: 15.92×10^-24cm³; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.143 g/cm³; (19)Flash Point: 100.7 °C; (20)Enthalpy of Vaporization: 47.99 kJ/mol; (21)Boiling Point: 242.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0331 mmHg at 25°C.

Preparation: this chemical can be prepared by [1,3]dioxolane and 2-[2]thienyl-ethylamine; hydrochloride. This reaction will need reagent conc. HCl. The yield is about 79.8%.

Uses of 4,5,6,7-Tetrahydrothieno[3,2-c]pyridine: it can be used to produce 2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-yl)benzaldehyde at the temperature of 152 °C. It will need reagent K₂CO₃ and solvent dimethylformamide with the reaction time of 15 hours. The yield is about 86%.

You can still convert the following datas into molecular structure:
(1)SMILES: s1c2c(cc1)CNCC2
(2)Std. InChI: InChI=1S/C7H9NS/c1-3-8-5-6-2-4-9-7(1)6/h2,4,8H,1,3,5H2
(3)Std. InChIKey: OGUWOLDNYOTRBO-UHFFFAOYSA-N