N-(2-Hydroxyethyl)nicotinamide

Preparation of (R)-4-trimethyIammonium-3-(tetradecylcarbamoyl)-amino- butyrate of {2[-(N-methyl-(1 , 4-dihydro-pyridine)-3-yl)carbonyl]-amino}ethyliodide (ST3496); Preparation of the intermediate N-(2-hvdroxy-ethvD-nicotinamide; SOCb (455 μl, 6.26 mmol) ) was added to a suspension of nicotinic acid (0.385 g, 3.13 mmol) in anhydrous toluene (15 ml) and the reaction mixture was refluxed at 140General procedure: To obtain the alcohol derivatives, an esterification or amidation with the corresponding benzoic acid (1equiv) was carried out in 20mL anhydrous CH(A) A mixture of 1.6 kg of ethyl nicotinate, Ethanolamine 1.1kg into the reactor.The reaction was heated to 125 ° C for 4 hours.After completion of the reaction, Cooled to 100 ° C, Vacuum distillation, Vacuum distillation vacuum-0.091MPa distillation temperature rose to 130 ~ 135 when the end of distillation, the reaction solution;(B) The reaction solution can be rapidly cooled to 80 ° C with brine under stirring, And then slowly cooled to 65 ;(C) 1.6 kg of acetone was added dropwise at 60 ° C, After the dropwise addition was continued, the temperature was gradually lowered to 45 ° C, Crystal precipitation, And the mixture was stirred at 45 ° C for 1 hour.(D) continue to cool to 30 ° C, Stir for 1.5 hours, And then continue to cool to 10-15 , Stirred for 1 hour, And then continue to cool to 0 or so, Stirring crystallization after 1 hour out.Centrifugation, The filter cake, The oven was dried at 50-60 & lt; 0 & gt; C, To obtain 1.70 kg of white N- (2-hydroxyethyl) -nicotinamide, The overall yield was 96.6percentMp 89-91 ° C.General procedure: For the synthesis of the hydroxylated precursors, ethanolamine (1.5 mmol) was added slowly to the esters (1 mmol) at 55°C and stirred for 3 h. The reaction mixture was stirred at room temperature for 15 h. The residue was purified by silica gel column chromatography (eluent/ethyl acetate/hexane 8:2) or recrystallized from ethyl acetate. The progress of the reaction was monitored by TLC.`Ethyl nicotinate (15.1 g, 100.0 mmol, 1.0 eq.) and Ethanolamine (6.1 g, 100.0 rnrnol, 1.0 eq.) were dissolved in toluene (80 ml_). The reaction mixture was heated to 80

Intermediate of nicorandil (nicotinyl ester, nicotinamide).

Molecular Weight:166.18
XLogP3:-0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:166.074227566
Monoisotopic Mass:166.074227566
Topological Polar Surface Area:62.2
Heavy Atom Count:12
Complexity:150
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes