4-BROMO-5-NITROTHIOPHENE-2-CARBOXALDEHYDE

a A solution of potassium nitrate (110 g, 1.09 mol) in H2SO4 (550 mL, conc.) was added to a solution OF 4-bromo-thiophene-2-carbaldehyde (207.6 g, 1.08 mol) in H2SO4 (1.1 L, conc.) at CH2C12 (5 mL, anhydrous) at 0 oC over a 45 minute period. The reaction mixture was stirred 0 oC for 2 hrs, then stirred overnight at rt. The reaction mixture was poured over ice, filtered, and washed with water and hexanes. The yellow solid was dried overnight to afford the title compound (251.4 g, 98. 6percent). 1H-NMR (DMSO-d6) : δ 9. 90 (S, 1H), 8.56 (s, 1H).A 5-L, three-neck, round bottom flask was equipped with a mechanical stirrer and temperature probe and charged with 3-bromothiphenecarboxyaldehyde (360.0 g, 1.884 mol) and HA solution of KNOStep 1: Preparation of 4-bromo-5-nitrothiophene-2-carbaldehyde (Intermediate 65) A solution of KNO

Molecular Weight:236.05
XLogP3:2.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:234.89388
Monoisotopic Mass:234.89388
Topological Polar Surface Area:91.1
Heavy Atom Count:11
Complexity:183
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes