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Methyl iodide → 2-Methylsulfanyl-3-(2-trimethylsilanyl-ethoxymethyl)-3H-imidazole-4-carboxylic acid ethyl ester

HRID 1190158
Notes
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Reaction equation

HRID 1190158 reaction equation
[CH2:1]([O:3][C:4]([C:6]1[NH:7][C:8]([SH:11])=[N:9][CH:10]=1)=[O:5])[CH3:2].[CH2:12](N(CC)CC)C.IC.[CH3:21][Si:22]([CH2:25][CH2:26][O:27][CH2:28]Cl)([CH3:24])[CH3:23]>C(Cl)Cl>[CH2:1]([O:3][C:4]([C:6]1[N:7]([CH2:28][O:27][CH2:26][CH2:25][Si:22]([CH3:24])([CH3:23])[CH3:21])[C:8]([S:11][CH3:12])=[N:9][CH:10]=1)=[O:5])[CH3:2]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 6328Methyl iodideHCID 8471Triethylamine3×HCID 27242712-Chloromethyl 2-(trimethylsilyl)ethyl ether2×HCID 178469868ethyl 2-sulfanyl-1H-imidazole-5-carboxylate

Product 1

HCID 589945432-Methylsulfanyl-3-(2-trimethylsilanyl-ethoxymethyl)-3H-imidazole-4-carboxylic acid ethyl esterYield 55%

Reagents, catalysts & solvents 1

HCID 6344DichloromethaneSolvent2×

Procedure

To a solution of 2-mercapto-3H-imidazole-4-carboxylic acid ethyl ester (1.0 g, 5.8 mmol) in 15 mL of DCM was added triethylamine (NEt3) (1.0 mL, 7.2 mmol) and iodomethane (0.4 mL, 6.4 mmol) and the mixture stirred for 3 h at RT. The mixture was cooled in an ice bath, NEt3 (1.0 mL, 7.2 mmol) and SEM-Cl (1.2 mL, 6.4 mmol) was added, the mixture stirred for 3 hours at RT and then an additional portion of NEt3 (0.5 mL, 3.6 mmol) and SEM-Cl (0.6 mL, 3.2 mmol) was added and the mixture stirred for 8 h at RT. The mixture was diluted with 50 mL of DCM and washed with NaHCO3 (2×60 mL) and brine (60 mL) and dried over Na2SO4. Flash chromatography of the residue on Si gel with 30% EtOAc/hexanes gave the title compound as a colorless oil (1.0 g, 55%). Mass spectrum (ESI, m/z): Calcd. for C13H24N2O3SSi, 317.1 (M+H). found 316.7.

Workup

  1. temperatureThe mixture was cooled in an ice bath
  2. stirringthe mixture stirred for 3 hours at RT
  3. stirringthe mixture stirred for 8 h at RT
  4. washwashed with NaHCO3 (2×60 mL) and brine (60 mL)
  5. dry with materialdried over Na2SO4

Sources & evidence

ORD record
ord-77243453c2f14d4c96b826994e375599
Source dataset
uspto-grants-2014_03
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08674100B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes