5-Chloro-3-thiophenecarbo...

Synthesis of Intermediate 1Molecul t: 143.6[00394] In a 3-neck 100 mL round-bottomed flask, 3-Cyanothiophene (5.0 g, 1 eq.) was dissolved in Acetic acid (50 mL, 10 Vol.) and Added N-chloro succinamide (6.73 g, 1.1 eq.). Reaction mixture was stirred at reflux temperature for 2-3 h. Reaction completion was monitored on TLC using ethyl acetate: n-hexane (1 :9) as mobile phase. Reaction mixture was brought to room temperature and poured into ice-water slurry (250 mL) and neutralized with sodium bicarbonate solution. Compound was extracted in the EtOAc (100 mL x 3). Organic layer was washed with brine solution (100 mL X 2) followed by drying using anhydrous sodium sulphate. Organic layer was concentrated under reduced pressure to afford 5.0 g of crude compound. Compound was purified by flash chromatography using ethyl acetate and Hexane to afford 2.4 g pure compound. Yield (36.5 percent). Mass/LCMS: 177.0' NMR : Confirmed.

Molecular Weight:143.59
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Exact Mass:142.9596479
Monoisotopic Mass:142.9596479
Topological Polar Surface Area:52
Heavy Atom Count:8
Complexity:128
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes