Methyl iodide → HCID 178493238, compound

HRID 1803127Notes

Reaction equation

HRID 1803127 reaction equation
[I:1][CH3:2].[CH3:3][O:4][C:5]1[CH:6]=[C:7]([NH:17][C:18]([NH2:20])=[S:19])[CH:8]=[CH:9][C:10]=1[N:11]1[CH:15]=[N:14][C:13]([CH3:16])=[N:12]1>C(O)C>[IH:1].[CH3:3][O:4][C:5]1[CH:6]=[C:7]([NH:17][C:18]([S:19][CH3:2])=[NH:20])[CH:8]=[CH:9][C:10]=1[N:11]1[CH:15]=[N:14][C:13]([CH3:16])=[N:12]1

Participants

4

Reactant 2

HCID 6328Methyl iodideHCID 866498981-(3-methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenyl)thiourea

Product 1

HCID 178493238HCID 178493238, compoundYield 101.4%

Reagents, catalysts & solvents 1

HCID 702EthanolSolvent

Conditions

Temperature
70 °C

Procedure

Step F (5): Iodomethane (1.04 mL, 16.67 mmol) was added to a solution of 1-(3-methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenyl)thiourea (4.18 g, 15.87 mmol) in absolute ethanol (100 mL). The resulting mixture was heated at 70° C. for 3 h. After cooling to rt, the reaction was concentrated in vacuo. The residual volatiles were removed in high vacuo to afford methyl 3-methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenylcarbamimidothioate, hydroiodide (6.52 g, 16.09 mmol, 101% yield) as a white solid. LC-MS (M+H)+ 278.1.

Workup

  1. temperatureAfter cooling to rt
  2. concentrationthe reaction was concentrated in vacuo
  3. customThe residual volatiles were removed in high vacuo

Sources & evidence

ORD record
ord-d02000dd0f1b4fc78bb09de0af72cde7
Source dataset
uspto-grants-2013_01
Patent number
US08349880B2

Reaction notes

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