Methyl iodide → HCID 178493240, compound

HRID 1803177Notes

Reaction equation

HRID 1803177 reaction equation
[I:1][CH3:2].[F:3][C:4]1[CH:5]=[C:6]([NH:18][C:19]([NH2:21])=[S:20])[CH:7]=[C:8]([O:16][CH3:17])[C:9]=1[N:10]1[CH:14]=[N:13][C:12]([CH3:15])=[N:11]1>C(O)C>[IH:1].[F:3][C:4]1[CH:5]=[C:6]([NH:18][C:19]([S:20][CH3:2])=[NH:21])[CH:7]=[C:8]([O:16][CH3:17])[C:9]=1[N:10]1[CH:14]=[N:13][C:12]([CH3:15])=[N:11]1

Participants

4

Reactant 2

HCID 6328Methyl iodideHCID 866499201-(3-fluoro-5-methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenyl)thiourea

Product 1

HCID 178493240HCID 178493240, compoundYield 99.3%

Reagents, catalysts & solvents 1

HCID 702EthanolSolvent

Conditions

Temperature
70 °C

Procedure

Step S (4): Iodomethane (0.179 mL, 2.88 mmol) was added to a solution of 1-(3-fluoro-5-methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenyl)thiourea (0.772 g, 2.74 mmol) in absolute ethanol (50 mL). The resulting mixture was heated at 70° C. for 3 h. The crude reaction mixture was concentrated in vacuo. The residual solid was dried under high vacuum to afford methyl 3-fluoro-5-methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenylcarbamimidothioate, hydroiodide (1.15 g, 2.72 mmol, 99% yield) as a yellow solid. LC-MS (M+H)+ 296.1.

Workup

  1. customThe crude reaction mixture
  2. concentrationwas concentrated in vacuo
  3. customThe residual solid was dried under high vacuum

Sources & evidence

ORD record
ord-eb644a26475e419f8d247f06e7ba21db
Source dataset
uspto-grants-2013_01
Patent number
US08349880B2

Reaction notes

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