No renderable structure data available
CC(C)(C)C1=CC=CC=C1N2CCCC2Chemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 1-(2-tert-butylphenyl)pyrrolidine |
|---|---|
| IUPAC Name | — |
| CAS Number | 210426-70-3 |
| Database ID | 10845838 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
1-(2-tert-butylphenyl)pyrrolidine (CAS 210426-70-3) 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 10845838
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
10 reactions · 10 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-02243ec325d04c7da91d311cec6a4ab0Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-02243ec325d04c7da91d311cec6a4ab0Conditions: temp:0.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 1-(2-tert-butylphenyl)pyrrolidine (350 mg, 1.72 mmol) was added portionwise to conc. H2SO4 (1 mL) to generate a yellow homogeneous solution. The solution was then cooled to 0° C. and KNO3 (191 mg, 1.9 mmol) was added portionwise maintaining the internal temperature below 5° C. The reaction was stirred for 2 h and then poured on ice-water and extracted with DCM, dried over Na2SO4, filtered and concentrated. The residue was purified by silica gel column chromatography to obtain 1-(2-tert-butyl-5-nitrophenyl)pyrrolidine (325 mg, 76%). LC/MS: m/z 248.9 (M+H)+ at 2.39 min (10%-99% CH3CN (0.035% TFA)/H2O (0.05% TFA)). maintaining the internal temperature below 5° C poured on ice-water extracted with DCM dried over Na2SO4 filtered concentrated The residue was purified by silica gel column chromatography
Source ID: ord-d8f61630ebd74afca315ca6a52dfa041Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 1-(2-tert-butylphenyl)pyrrolidine-2,5-dione (500 mg, 2.16 mmol) in THF (10 mL) was added BH3 in toluene (350 mg, 1.72 mmol) dropwise and the reaction mixture was heated to reflux overnight. The reaction was cooled to room temperature and quenched with methanol (until the evolution of H2 ceased). The solvent was evaporated to obtain 1-(2-tert-butylphenyl)pyrrolidine (350 mg, 80%) as an oil. 1H NMR (400 MHz, CDCl3) δ 7.30 (s, 1H), 7.28 (s, 1H), 7.15 (d, J=0.9 Hz, 1H), 7.07-7.01 (m, 1H), 2.90 (s, 4H), 1.88-1.78 (m, 4H), 1.35 (s, 9H). LC/MS: m/z 204.1 (M+H)+ at 0.88 min (10%-99% CH3CN (0.035% TFA)/H2O (0.05% TFA)). the reaction mixture was heated to reflux overnight quenched with methanol (until the evolution of H2 The solvent was evaporated
Source ID: ord-07124868889549ddb913837c7d7b99c3Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 1-(2-tert-butylphenyl)pyrrolidine-2,5-dione (500 mg, 2.16 mmol) in THF (10 mL) was added BH3 in toluene (350 mg, 1.72 mmol) dropwise and the reaction mixture was heated to reflux overnight. The reaction was cooled to room temperature and quenched with methanol (until the evolution of H2 ceased). The solvent was evaporated to obtain 1-(2-tert-butylphenyl)pyrrolidine (350 mg, 80%) as an oil. 1H NMR (400 MHz, CDCl3) δ 7.30 (s, 1H), 7.28 (s, 1H), 7.15 (d, J=0.9 Hz, 1H), 7.07-7.01 (m, 1H), 2.90 (s, 4H), 1.88-1.78 (m, 4H), 1.35 (s, 9H). LC/MS: m/z 204.1 (M+H)+ at 0.88 min (10%-99% CH3CN (0.035% TFA)/H2O (0.05% TFA)). the reaction mixture was heated to reflux overnight quenched with methanol (until the evolution of H2 The solvent was evaporated
Source ID: ord-07124868889549ddb913837c7d7b99c3Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 1-(2-tert-butylphenyl)pyrrolidine-2,5-dione (500 mg, 2.16 mmol) in THF (10 mL) was added BH3 in toluene (350 mg, 1.72 mmol) dropwise and the reaction mixture was heated to reflux overnight. The reaction was cooled to room temperature and quenched with methanol (until the evolution of H2 ceased). The solvent was evaporated to obtain 1-(2-tert-butylphenyl)pyrrolidine (350 mg, 80%) as an oil. 1H NMR (400 MHz, CDCl3) δ 7.30 (s, 1H), 7.28 (s, 1H), 7.15 (d, J=0.9 Hz, 1H), 7.07-7.01 (m, 1H), 2.90 (s, 4H), 1.88-1.78 (m, 4H), 1.35 (s, 9H). LC/MS: m/z 204.1 (M+H)+ at 0.88 min (10%-99% CH3CN (0.035% TFA)/H2O (0.05% TFA)). the reaction mixture was heated to reflux overnight quenched with methanol (until the evolution of H2 The solvent was evaporated
Source ID: ord-07124868889549ddb913837c7d7b99c3Conditions: temp:0.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 1-(2-tert-butylphenyl)pyrrolidine (350 mg, 1.72 mmol) was added portionwise to conc. H2SO4 (1 mL) to generate a yellow homogeneous solution. The solution was then cooled to 0° C. and KNO3 (191 mg, 1.9 mmol) was added portionwise maintaining the internal temperature below 5° C. The reaction was stirred for 2 h and then poured on ice-water and extracted with DCM, dried over Na2SO4, filtered and concentrated. The residue was purified by silica gel column chromatography to obtain 1-(2-tert-butyl-5-nitrophenyl)pyrrolidine (325 mg, 76%). LC/MS: m/z 248.9 (M+H)+ at 2.39 min (10%-99% CH3CN (0.035% TFA)/H2O (0.05% TFA)). maintaining the internal temperature below 5° C poured on ice-water extracted with DCM dried over Na2SO4 filtered concentrated The residue was purified by silica gel column chromatography
Source ID: ord-7586f0fbd9504446a061ec56633146aeConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 1-(2-tert-butylphenyl)pyrrolidine-2,5-dione (500 mg, 2.16 mmol) in THF (10 mL) was added BH3 in toluene (350 mg, 1.72 mmol) dropwise and the reaction mixture was heated to reflux overnight. The reaction was cooled to room temperature and quenched with methanol (until the evolution of H2 ceased). The solvent was evaporated to obtain 1-(2-tert-butylphenyl)pyrrolidine (350 mg, 80%) as an oil. 1H NMR (400 MHz, CDCl3) δ 7.30 (s, 1H), 7.28 (s, 1H), 7.15 (d, J=0.9 Hz, 1H), 7.07-7.01 (m, 1H), 2.90 (s, 4H), 1.88-1.78 (m, 4H), 1.35 (s, 9H). LC/MS: m/z 204.1 (M+H)+ at 0.88 min (10%-99% CH3CN (0.035% TFA)/H2O (0.05% TFA)). the reaction mixture was heated to reflux overnight quenched with methanol (until the evolution of H2 The solvent was evaporated
Source ID: ord-60114560243a4d5dac39d31ff0cc6a7bConditions: temp:0.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 1-(2-tert-butylphenyl)pyrrolidine (350 mg, 1.72 mmol) was added portionwise to conc. H2SO4 (1 mL) to generate a yellow homogeneous solution. The solution was then cooled to 0° C. and KNO3 (191 mg, 1.9 mmol) was added portionwise maintaining the internal temperature below 5° C. The reaction was stirred for 2 h and then poured on ice-water and extracted with DCM, dried over Na2SO4, filtered and concentrated. The residue was purified by silica gel column chromatography to obtain 1-(2-tert-butyl-5-nitrophenyl)pyrrolidine (325 mg, 76%). LC/MS: m/z 248.9 (M+H)+ at 2.39 min (10%-99% CH3CN (0.035% TFA)/H2O (0.05% TFA)). maintaining the internal temperature below 5° C poured on ice-water extracted with DCM dried over Na2SO4 filtered concentrated The residue was purified by silica gel column chromatography
Source ID: ord-161962f1838c43e3a076525b465629e7Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 1-(2-tert-butylphenyl)pyrrolidine-2,5-dione (500 mg, 2.16 mmol) in THF (10 mL) was added BH3 in toluene (350 mg, 1.72 mmol) dropwise and the reaction mixture was heated to reflux overnight. The reaction was cooled to room temperature and quenched with methanol (until the evolution of H2 ceased). The solvent was evaporated to obtain 1-(2-tert-butylphenyl)pyrrolidine (350 mg, 80%) as an oil. 1H NMR (400 MHz, CDCl3) δ 7.30 (s, 1H), 7.28 (s, 1H), 7.15 (d, J=0.9 Hz, 1H), 7.07-7.01 (m, 1H), 2.90 (s, 4H), 1.88-1.78 (m, 4H), 1.35 (s, 9H). LC/MS: m/z 204.1 (M+H)+ at 0.88 min (10%-99% CH3CN (0.035% TFA)/H2O (0.05% TFA)). the reaction mixture was heated to reflux overnight quenched with methanol (until the evolution of H2 The solvent was evaporated
Source ID: ord-504810fed29a4b579cafc9e9428d34a0PubChem References
These sources are listed in the compound's public database record.
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