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1H-Imidazole-1-carbothioic acid, O-propyl ester synthesis
- Product Name:1H-Imidazole-1-carbothioic acid, O-propyl ester
- CAS Number:175538-78-0
- Molecular formula:C7H10N2OS
- Molecular Weight:170.23
Yield:175538-78-0 94%
Reaction Conditions:
in MTBE (methyl tert-butyl ether) at 25 - 28; for 1 h;
Steps:
1; I
To the suspension of K '-thiαcai-tonyldiimidazole (3l .fi g, 177.3 jnmol) methyl tert-buyl eiher (MTBB, 95 rnL) at 25X is added -propanol ( I . .7 g, 14.6 mi, 195 mmol j. Wiihi.n . hour the reuction n-iixtυrc raphes 2ST and becoiiies a clear solution. TLC analysis (SiO2, EiOAc eluem, Rf of the pruduct. 0.75; Rf of the starting material, 0.15) shows hsi the reaction is complete. Ti*.' reactsoR jiikfυrc is partis iosied between water (75 mL) and MTBE (25 inL). The organic phλtse is waskxi vsih wascf (75 ;L), is ?ai?.inUSDt.cd sodium bicarhonaie soluiion (50 mt). brine (50 ?iL.} and is conce trated OR a roSiis-y evaporate to an amber oil. compound 7 QS.5 g. 94% yield), AnaS. Calculated for C%HS.iN,OS: C 49.39; I L 5.92; N, 16.46. Found; C 49.47; H. 6.06: N, 16-50. JiPLC purity W..4K by area at 225 nrs (Rx -. 2.5 min). MS (ES+) m/x I T i
References:
WO2007/118010,2007,A1 Location in patent:Page/Page column 8; 10