2-Hexylthiophene

Light yellow liquid Colorless to pale yellow liquid; meat-like aroma

Colourless to pale yellow liquid; Meat-like aroma

2-Hexylthiophene is a heteroarene.

To a solution of thiophene (5.0 g, 60 mmol) in THF (50 mL) was added dropwise n-BuLi (40.6 mL, 65 mmol, 1.6 M in hexane) at -78 °C. A solution of the compound 1 (2.00g, 23.80mmol) in anhydrous THF (30mL) was cooled down to−78°C under argon atmosphere, and n-BuLi (2.50M in hexanes, 9.5mL, 23.80mmol) was added dropwise. After stirring for 1h, 1-bromohexane (23.80mmol) was added dropwise and the reaction medium was slowly warmed to 0°C. Water (10mL) was added for quenching the reaction, and the aqueous layer was then extracted with dichloromethane (3×10mL). The organic layer was washed with water (10mL) and dried over MgSOTo a cooled (-70 °C) mixture of thiophene (17.6 g, 0.21 mol) in anhydrous THF (100 mL) was added dropwise a solution of n-BuLi (137.5 ml, 1 , 6 M, 0.22 mol) in hexane. After stirring for 1 hour at 0 To a solution of thiophene (15 g, 0.178 mole) in 200 niL of dry THF at - 78In a 1 L round-bottom flask, 50 g of thiophene (0.594 mol) was dissolved in 500 mL of tetrahydrofuran (THF), followed by stirring at -78° C. for 30 minutes. 371 mL of n-butyllithium (1.6M hexane solution) (0.594 mol) was slowly dropwise added thereto, followed by stirring for 2 hours. The resultant solution was slowly added with 98 g of 1-bromohexane (0.594 mol), stirred at room temperature for 3 hours, and added with 200 mL of water. The organic layer was separated by ethyl acetate (AcEt), and the organic solvent was removed under reduced pressure so as to provide oil. The oil layer was vacuum-distillated so as to provide 52.2 g of Formula 5-a (yield 52percent).Step ii) Production of 2-hexylthiophene

An important intermediate for medicines and pesticides, an important intermediate for the synthesis of optoelectronic materials

Molecular Weight:168.30
XLogP3:4.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:168.09727168
Monoisotopic Mass:168.09727168
Topological Polar Surface Area:28.2
Heavy Atom Count:11
Complexity:90.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes