No renderable structure data available
CN1CCN=C1SCChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 1-methyl-2-methylsulfanyl-4,5-dihydroimidazole |
|---|---|
| IUPAC Name | — |
| CAS Number | 52839-23-3 |
| Database ID | 10396874 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
1-methyl-2-methylsulfanyl-4,5-dihydroimidazole (CAS 52839-23-3) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
Potential Applications
For professional research and industrial use only
Database ID 10396874
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
12 reactions · 12 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-47a7ebe227c34b4783f1bd33b2d7ace6Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 35.7 g methyl nitroacetate was added slowly to a refluxing mixture of 39.0 g of 1A and 300 ml of isopropyl alcohol. The mixture then was refluxed for 1 hour with provision to remove the methyl mercaptan by-product. The mixture was cooled and filtered to give the methyl ester of (1-methyl-2-imidazolidinylidene)nitroacetic acid (1B) as a solid, m.p.: 214°-217° (with decomposition). The mixture then was refluxed for 1 hour with provision to remove the methyl mercaptan by-product The mixture was cooled filtered
Source ID: ord-e80e326091fc446892471a59408ec401Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 19.5 g of 1A, 17.8 g of methyl nitroacetate and a small amount of zinc chloride were mixed and the mixture was heated to 100°-105°. After 30 minutes, the solid reaction mixture was washed with ether, then with hot methanol. The mixture was filtered to give the methyl ester of (1-methyl-2-imidazolidinylidene)nitroacetic acid (1B) as a tan solid, m.p.: 209°-210°. the mixture was heated to 100°-105° the solid reaction mixture was washed with ether The mixture was filtered
Source ID: ord-13c56ebeda16459783ab9f1ab3fe19adConditions: temp:80.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of [4-(aminomethyl)phenyl]-N-{2-[N-(5-chloro(2-pyridyl))carbamoyl]phenyl}carboxamide (74 mg, 0.195 mmol), 1-methyl-2-methylthio-2-imidazoline (25 mg, 0.195 mmol), NEt3 (2 mL) and pyridine (5 mL) was stirred at 80° C. overnight, concentrated and HPLC (C18 reversed phase)eluting with 0.1% TFA in H2O/CH3CN gave N-{2-[N-(5-chloro(2-pyridyl))carbamoyl]phenyl}(4-{[(1-methyl(2-imidazolin-2-yl))amino]methyl}phenyl)carboxamide (52 mg, 65%). MS found for C24H23ClN6O2 (M+H)+: 463. concentrated
Source ID: ord-476111128303459bbe941a58f7b8c228Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: N-Methyl-N-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)-hydrazine is prepared according to Step B of Example 25 using 1-methyl-2-methylsulfanyl-4,5-dihydro-1H-imidazole and methyl hydrazine.
Source ID: ord-b6632d0c45ef45b0ae16080b4f0611acConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: N-Methyl-N-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)-hydrazine is prepared according to Step B of Example 25 using 1-methyl-2-methylsulfanyl-4,5-dihydro-1H-imidazole and methyl hydrazine.
Source ID: ord-b6632d0c45ef45b0ae16080b4f0611acConditions: temp:80.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of [4-(aminomethyl)phenyl]-N-{2-[N-(5-chloro(2-pyridyl))carbamoyl]phenyl}carboxamide (74 mg, 0.195 mmol), 1-methyl-2-methylthio-2-imidazoline (25 mg, 0.195 mmol), NEt3 (2 mL) and pyridine (5 mL) was stirred at 80° C. overnight, concentrated and HPLC (C18 reversed phase) eluting with 0.1% TFA in H2O/CH3CN gave N-{2-[N-(5-chloro(2-pyridyl))carbamoyl]phenyl}(4-{[(1-methyl(2-imidazolin-2-yl))amino]methyl}phenyl)carboxamide (52 mg, 65%). MS found for C24H23ClN6O2 (M+H)+: 463. concentrated HPLC (C18 reversed phase) eluting with 0.1% TFA in H2O/CH3CN
Source ID: ord-59e85d253dfe4497bcc48ca45b871e58Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: N-Methyl-N-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)-hydrazine is prepared according to Step B of Example 25 using 1-methyl-2-methylsulfanyl-4,5-dihydro-1H-imidazole and methyl hydrazine.
Source ID: ord-6335afe5ed314c0b80323e5d25a760f1Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 19.5 g of 1A, 17.8 g of methyl nitroacetate and a small amount of zinc chloride were mixed and the mixture heated to 100°-105°. After 30 minutes, the solid reaction mixture was washed with ether, then with hot methanol. The mixture then was filtered to give the methyl ester of (1-methyl-2-imidazolidinylidene)nitroacetic acid (1B) as a tan solid, m.p.: 209°-210°. the mixture heated to 100°-105° the solid reaction mixture was washed with ether The mixture then was filtered
Source ID: ord-ba0adfc77e6f49f09f87e2968a44bf0dConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 19.5 g of 1A, 17.8 g of methyl nitroacetate and a small amount of zinc chloride were mixed and the mixture heated to 100°-105°. After 30 minutes, the solid reaction mixture was washed with ether, then with hot methanol. The mixture then was filtered to give the methyl ester of (1-methyl-2-imidazolidinylidene)nitroacetic acid (1B) as a tan solid, m.p.: 209°-210°. the mixture heated to 100°-105° the solid reaction mixture was washed with ether The mixture then was filtered
Source ID: ord-ba0adfc77e6f49f09f87e2968a44bf0dConditions: temp:80.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of [4-(aminomethyl)phenyl]-N-{2-[N-(5-chloro(2-pyridyl))carbamoyl]phenyl}carboxamide (74 mg, 0.195 mmol), 1-methyl-2-methylthio-2-imidazoline (25 mg, 0.195 mmol), NEt3 (2 mL) and pyridine (5 mL) was stirred at 80° C. overnight, concentrated and HPLC (C18 reversed phase) eluting with 0.1% TFA in H2O/CH3CN gave N-{2-[N-(5-chloro(2-pyridyl))carbamoyl]phenyl}(4-{[(1-methyl(2-imidazolin-2-yl))amino]methyl}phenyl)carboxamide (52 mg, 65%). MS found for C24H23ClN6O2 (M+H)+: 463. concentrated HPLC (C18 reversed phase) eluting with 0.1% TFA in H2O/CH3CN
Source ID: ord-30a4b1acec744fe7ac7ca91be30e3f4fConditions: temp:80.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of [4-(aminomethyl)phenyl]-N-{2-[N-(5-chloro(2-pyridyl))carbamoyl]phenyl}carboxamide (74 mg, 0.195 mmol), 1-methyl-2-methylthio-2-imidazoline (25 mg, 0.195 mmol), NEt3 (2 mL) and pyridine (5 mL) was stirred at 80° C. overnight, concentrated and HPLC (C18 reversed phase) eluting with 0.1% TFA in H2O/CH3CN gave N-{2-[N-(5-chloro(2-pyridyl))carbamoyl]phenyl}(4-{[(1-methyl(2-imidazolin-2-yl))amino]methyl}phenyl)carboxamide (52 mg, 65%). MS found for C24H23ClN6O2 (M+H)+: 463. concentrated HPLC (C18 reversed phase) eluting with 0.1% TFA in H2O/CH3CN
Source ID: ord-abaf463b08694e7e97c7286f7583efbbPubChem References
These sources are listed in the compound's public database record.
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