No renderable structure data available
CC1=CC=CC=C1C(=NO)NChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | N'-hydroxy-2-methylbenzenecarboximidamide |
|---|---|
| IUPAC Name | — |
| CAS Number | 40312-14-9 |
| Database ID | 3098087 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
N'-hydroxy-2-methylbenzenecarboximidamide (CAS 40312-14-9) 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 3098087
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-01663d0d1f4f4127b79bb9ba1b2330e5Conditions: temp:80.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: In a reactor tube, a mixture of N′-hydroxy-2-methylbenzamidine (555 mg, 3.7 mmol), 4-pentynoic acid (363 mg, 3.7 mmol), HOBT (0.56 g, 3.7 mmol) and EDCI.HCl (1.06 g, 5.55 mmol) in dioxane (7.4 mL) was stirred at R.T for 3 h. After this time the mixture was heated at 80° C. overnight in a reaction block. The mixture was concentrated. The organic layer was washed with water, NaOH 1N and water. The solvent was evaporated in a Genevac for 75 min at 40° C. using the low boiling point program. The crude product was purified by flash chromatography (Prepacked 10 g silicagel column) with DCM as eluent to afford 250 mg of 5-(but-3-ynyl)-3-o-tolyl-1,2,4-oxadiazole (Yield: 32%) as yellow oil. The mixture was concentrated The organic layer was washed with water, NaOH 1N and water The solvent was evaporated in a Genevac for 75 min at 40° C. The crude product was purified by flash chromatography (Prepacked 10 g silicagel column) with DCM as eluent
Source ID: ord-bbdb61a825dc4b6f9ede894f6ba2472dConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 2-methyl-benzonitrile (0.950 mL, 8 μmol), hydroxylamine 50% in water (1.6 mL, 24 mmol) and EtOH (8 mL) was heated at 70° C. for 48 h TLC analysis (DCM/MeOH: 97/3 as eluent) indicates the completion of the reaction The solvent was removed under reduced pressure to afford 1.2 g of N′-hydroxy-2-methylbenzamidine (Yield: 100%) as a white powder (M.P.=147-148.5° C.) which can be used without further purification. the completion of the reaction The solvent was removed under reduced pressure
Source ID: ord-899b43ec3ad040869ab33f1712305446Conditions: temp:80.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: In a reactor tube, a mixture of N′-hydroxy-2-methylbenzamidine (555 mg, 3.7 mmol), 4-pentynoic acid (363 mg, 3.7 mmol), HOBT (0.56 g, 3.7 mmol) and EDCI.HCl (1.06 g, 5.55 mmol) in dioxane (7.4 mL) was stirred at R.T for 3 h. After this time the mixture was heated at 80° C. overnight in a reaction block. The mixture was concentrated. The organic layer was washed with water, NaOH 1N and water. The solvent was evaporated in a Genevac for 75 min at 40° C. using the low boiling point program. The crude product was purified by flash chromatography (Prepacked 10 g silicagel column) with DCM as eluent to afford 250 mg of 5-(but-3-ynyl)-3-o-tolyl-1,2,4-oxadiazole (Yield: 32%) as yellow oil. The mixture was concentrated The organic layer was washed with water, NaOH 1N and water The solvent was evaporated in a Genevac for 75 min at 40° C. The crude product was purified by flash chromatography (Prepacked 10 g silicagel column) with DCM as eluent
Source ID: ord-e0bc7b7164a643f1ab69d0ca1d2d694eConditions: temp:70.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 2-methyl-benzonitrile (0.950 mL, 8 mmol), hydroxylamine 50% in water (1.6 mL, 24 mmol) and EtOH (8 mL) was heated at 70° C. for 48 h. TLC analysis (DCM/MeOH: 97/3 as eluent) indicates the completion of the reaction. The solvent was removed under reduced pressure to afford 1.2 g of N′-hydroxy-2-methylbenzamidine (Yield: 100%) as a white powder (M.P.=147-148.5° C.). which can be used without further purification. the completion of the reaction The solvent was removed under reduced pressure
Source ID: ord-10ac7e740fc04206bbb1be61000b08d5Conditions: temp:80.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: In a reactor tube, a mixture of N′-hydroxy-2-methylbenzamidine (555 mg, 3.7 mmol), 4-pentynoic acid (363 mg, 3.7 mmol), HOBT (0.56 g, 3.7 mmol) and EDCI.HCl (1.06 g, 5.55 mmol) in dioxane (7.4 mL) was stirred at R.T for 3 h. After this time the mixture was heated at 80° C. overnight in a reaction block. The mixture was concentrated. The organic layer was washed with water, NaOH 1N and water. The solvent was evaporated in a Genevac for 75 min at 40° C. using the low boiling point program. The crude product was purified by flash chromatography (Prepacked 10 g silicagel column) with DCM as eluent to afford 250 mg of 5-(but-3-ynyl)-3-o-tolyl-1,2,4-oxadiazole (Yield: 32%) as yellow oil. The mixture was concentrated The organic layer was washed with water, NaOH 1N and water The solvent was evaporated in a Genevac for 75 min at 40° C. The crude product was purified by flash chromatography (Prepacked 10 g silicagel column) with DCM as eluent
Source ID: ord-bbdb61a825dc4b6f9ede894f6ba2472dConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 2-methyl-benzonitrile (0.950 mL, 8 μmol), hydroxylamine 50% in water (1.6 mL, 24 mmol) and EtOH (8 mL) was heated at 70° C. for 48 h TLC analysis (DCM/MeOH: 97/3 as eluent) indicates the completion of the reaction The solvent was removed under reduced pressure to afford 1.2 g of N′-hydroxy-2-methylbenzamidine (Yield: 100%) as a white powder (M.P.=147-148.5° C.) which can be used without further purification. the completion of the reaction The solvent was removed under reduced pressure
Source ID: ord-899b43ec3ad040869ab33f1712305446Conditions: temp:80.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: In a reactor tube, a mixture of N′-hydroxy-2-methylbenzamidine (555 mg, 3.7 mmol), 4-pentynoic acid (363 mg, 3.7 mmol), HOBT (0.56 g, 3.7 mmol) and EDCI.HCl (1.06 g, 5.55 mmol) in dioxane (7.4 mL) was stirred at R.T for 3 h. After this time the mixture was heated at 80° C. overnight in a reaction block. The mixture was concentrated. The organic layer was washed with water, NaOH 1N and water. The solvent was evaporated in a Genevac for 75 min at 40° C. using the low boiling point program. The crude product was purified by flash chromatography (Prepacked 10 g silicagel column) with DCM as eluent to afford 250 mg of 5-(but-3-ynyl)-3-o-tolyl-1,2,4-oxadiazole (Yield: 32%) as yellow oil. The mixture was concentrated The organic layer was washed with water, NaOH 1N and water The solvent was evaporated in a Genevac for 75 min at 40° C. The crude product was purified by flash chromatography (Prepacked 10 g silicagel column) with DCM as eluent
Source ID: ord-e0bc7b7164a643f1ab69d0ca1d2d694eConditions: temp:80.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: In a reactor tube, a mixture of N′-hydroxy-2-methylbenzamidine (555 mg, 3.7 mmol), 4-pentynoic acid (363 mg, 3.7 mmol), HOBT (0.56 g, 3.7 mmol) and EDCI.HCl (1.06 g, 5.55 mmol) in dioxane (7.4 mL) was stirred at R.T for 3 h. After this time the mixture was heated at 80° C. overnight in a reaction block. The mixture was concentrated. The organic layer was washed with water, NaOH 1N and water. The solvent was evaporated in a Genevac for 75 min at 40° C. using the low boiling point program. The crude product was purified by flash chromatography (Prepacked 10 g silicagel column) with DCM as eluent to afford 250 mg of 5-(but-3-ynyl)-3-o-tolyl-1,2,4-oxadiazole (Yield: 32%) as yellow oil. The mixture was concentrated The organic layer was washed with water, NaOH 1N and water The solvent was evaporated in a Genevac for 75 min at 40° C. The crude product was purified by flash chromatography (Prepacked 10 g silicagel column) with DCM as eluent
Source ID: ord-e0bc7b7164a643f1ab69d0ca1d2d694eConditions: temp:70.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 2-methyl-benzonitrile (0.950 mL, 8 mmol), hydroxylamine 50% in water (1.6 mL, 24 mmol) and EtOH (8 mL) was heated at 70° C. for 48 h. TLC analysis (DCM/MeOH: 97/3 as eluent) indicates the completion of the reaction. The solvent was removed under reduced pressure to afford 1.2 g of N′-hydroxy-2-methylbenzamidine (Yield: 100%) as a white powder (M.P.=147-148.5° C.). which can be used without further purification. the completion of the reaction The solvent was removed under reduced pressure
Source ID: ord-10ac7e740fc04206bbb1be61000b08d5Conditions: temp:70.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 2-methyl-benzonitrile (0.950 mL, 8 mmol), hydroxylamine 50% in water (1.6 mL, 24 mmol) and EtOH (8 mL) was heated at 70° C. for 48 h. TLC analysis (DCM/MeOH: 97/3 as eluent) indicates the completion of the reaction. The solvent was removed under reduced pressure to afford 1.2 g of N′-hydroxy-2-methylbenzamidine (Yield: 100%) as a white powder (M.P.=147-148.5° C.). which can be used without further purification. the completion of the reaction The solvent was removed under reduced pressure
Source ID: ord-10ac7e740fc04206bbb1be61000b08d5Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-01663d0d1f4f4127b79bb9ba1b2330e5PubChem References
These sources are listed in the compound's public database record.
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