No renderable structure data available
CNCC(C1=CC=C(C=C1)Br)OChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 1-(4-bromophenyl)-2-(methylamino)ethanol |
|---|---|
| IUPAC Name | — |
| CAS Number | 40587-07-3 |
| Database ID | 21943433 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
1-(4-bromophenyl)-2-(methylamino)ethanol (CAS 40587-07-3) 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 21943433
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-67d6600360b5479c9fdecc5ec6d9564eConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-67d6600360b5479c9fdecc5ec6d9564eConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Aluminium chloride (278 mg, 2.087 mmol) was added portionwise to a stirred solution of 1-(4-Bromo-phenyl)-2-methylamino-ethanol (160 mg, 0.696 mmol) in chlorobenzene (3 ml) and the reaction mixture stirred at room temperature for 17 hours. Water (2 ml) was added dropwise and the reaction mixture was then partitioned between dichloromethane (100 ml) and saturated NaHCO3 (30 ml). The organic layer was dried (MgSO4), filtered and concentrated under reduced pressure. The crude product was then purified by Phenomenex_Strata_SCX column chromatography eluting with methanol followed by 2N ammonia in methanol to afford the desired product. LC/MS: (PS-B3) Rt 3.58 [M+H]+ 324. the reaction mixture was then partitioned between dichloromethane (100 ml) and saturated NaHCO3 (30 ml) The organic layer was dried (MgSO4) filtered concentrated under reduced pressure The crude product was then purified by Phenomenex_Strata_SCX column chromatography eluting with methanol
Source ID: ord-b39ee0ce442b41e195503835c80ad7aeConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Aluminium chloride (278 mg, 2.087 mmol) was added portionwise to a stirred solution of 1-(4-Bromo-phenyl)-2-methylamino-ethanol (160 mg, 0.696 mmol) in chlorobenzene (3 ml) and the reaction mixture stirred at room temperature for 17 hours. Water (2 ml) was added dropwise and the reaction mixture was then partitioned between dichloromethane (100 ml) and saturated NaHCO3 (30 ml). The organic layer was dried (MgSO4), filtered and concentrated under reduced pressure. The crude product was then purified by Phenomenex_Strata_SCX column chromatography eluting with methanol followed by 2N ammonia in methanol to afford the desired product. LC/MS: (PS-B3) Rt 3.58 [M+H]+ 324. the reaction mixture was then partitioned between dichloromethane (100 ml) and saturated NaHCO3 (30 ml) The organic layer was dried (MgSO4) filtered concentrated under reduced pressure The crude product was then purified by Phenomenex_Strata_SCX column chromatography eluting with methanol
Source ID: ord-b39ee0ce442b41e195503835c80ad7aeConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 2-(4-bromophenyl)-oxirane (0.5 g, 2.51 mmol) in methylamine (6.6 ml, 33% by volume in ethanol, 25.12 mmol) was stirred at room temperature under an atmosphere of nitrogen. After 18 hours the solvent was removed in vacuo and the residue was purified over flash silica eluting with dichloromethane: methanol:acetic acid:water (120:15:3:2) to afford the desired compound as the acetic acid salt. Further purification over a Phenomenex_Strata_SCX column eluting with methanol followed by 2N ammonia in methanol gave the desired product. LC/MS: (PS-B3) Rt 2.52 [M+H]+ 230. After 18 hours the solvent was removed in vacuo the residue was purified over flash silica eluting with dichloromethane: methanol:acetic acid:water (120:15:3:2)
Source ID: ord-8373886837454c999b407ed5e97eee32Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 2-(4-bromophenyl)-oxirane (0.5 g, 2.51 mmol) in methylamine (6.6 ml, 33% by volume in ethanol, 25.12 mmol) was stirred at room temperature under an atmosphere of nitrogen. After 18 hours the solvent was removed in vacuo and the residue was purified over flash silica eluting with dichloromethane: methanol: acetic acid:water (120:15:3:2) to afford the desired compound as the acetic acid salt. Further purification over a Phenomenex_Strata_SCX column eluting with methanol followed by 2N ammonia in methanol gave the desired product. LC/MS: (PS-B3) Rt 2.52 [M+H]+ 230. After 18 hours the solvent was removed in vacuo the residue was purified over flash silica eluting with dichloromethane: methanol: acetic acid:water (120:15:3:2)
Source ID: ord-2a0c762d7dbf4ed292e806016539b26cConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Aluminium chloride (278 mg, 2.087 mmol) was added portionwise to a stirred solution of 1-(4-Bromo-phenyl)-2-methylamino-ethanol (160 mg, 0.696 mmol) in chlorobenzene (3 ml) and the reaction mixture stirred at room temperature for 17 hours. Water (2 ml) was added dropwise and the reaction mixture was then partitioned between dichloromethane (100 ml) and saturated NaHCO3 (30 ml). The organic layer was dried (MgSO4), filtered and concentrated under reduced pressure. The crude product was then purified by Phenomenex_Strata_SCX column chromatography eluting with methanol followed by 2N ammonia in methanol to afford the desired product. LC/MS: (PS-B3) Rt 3.58 [M+H]+ 324. the reaction mixture was then partitioned between dichloromethane (100 ml) and saturated NaHCO3 (30 ml) The organic layer was dried (MgSO4) filtered concentrated under reduced pressure The crude product was then purified by Phenomenex_Strata_SCX column chromatography eluting with methanol
Source ID: ord-48432a75457d498dad06286df25e292cConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 2-(4-bromophenyl)-oxirane (0.5 g, 2.51 mmol) in methylamine (6.6 ml, 33% by volume in ethanol, 25.12 mmol) was stirred at room temperature under an atmosphere of nitrogen. After 18 hours the solvent was removed in vacuo and the residue was purified over flash silica eluting with dichloromethane:methanol:acetic acid:water (120:15:3:2) to afford the desired compound as the acetic acid salt. Further purification over a Phenomenex_Strata_SCX column eluting with methanol followed by 2N ammonia in methanol gave the desired product. LC/MS: (PS-B3) Rt 2.52 [M+H]+ 230. After 18 hours the solvent was removed in vacuo the residue was purified over flash silica eluting with dichloromethane:methanol:acetic acid:water (120:15:3:2)
Source ID: ord-31b8b9c70e394d57831f1d439565f5fdConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Aluminium chloride (278 mg, 2.087 mmol) was added portionwise to a stirred solution of 1-(4-Bromo-phenyl)-2-methylamino-ethanol (160 mg, 0.696 mmol) in chlorobenzene (3 ml) and the reaction mixture stirred at room temperature for 17 hours. Water (2 ml) was added dropwise and the reaction mixture was then partitioned between dichloromethane (100 ml) and saturated NaHCO3 (30 ml). The organic layer was dried (MgSO4), filtered and concentrated under reduced pressure. The crude product was then purified by Phenomenex_Strata_SCX column chromatography eluting with methanol followed by 2N ammonia in methanol to afford the desired product. LC/MS: (PS-B3) Rt 3.58 [M+H]+ 324. the reaction mixture was then partitioned between dichloromethane (100 ml) and saturated NaHCO3 (30 ml) The organic layer was dried (MgSO4) filtered concentrated under reduced pressure The crude product was then purified by Phenomenex_Strata_SCX column chromatography eluting with methanol
Source ID: ord-48432a75457d498dad06286df25e292cConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 2-(4-bromophenyl)-oxirane (0.5 g, 2.51 mmol) in methylamine (6.6 ml, 33% by volume in ethanol, 25.12 mmol) was stirred at room temperature under an atmosphere of nitrogen. After 18 hours the solvent was removed in vacuo and the residue was purified over flash silica eluting with dichloromethane:methanol:acetic acid:water (120:15:3:2) to afford the desired compound as the acetic acid salt. Further purification over a Phenomenex_Strata_SCX column eluting with methanol followed by 2N ammonia in methanol gave the desired product. LC/MS: (PS-B3) Rt 2.52 [M+H]+ 230. After 18 hours the solvent was removed in vacuo the residue was purified over flash silica eluting with dichloromethane:methanol:acetic acid:water (120:15:3:2)
Source ID: ord-31b8b9c70e394d57831f1d439565f5fdConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Aluminium chloride (278 mg, 2.087 mmol) was added portionwise to a stirred solution of 1-(4-Bromo-phenyl)-2-methylamino-ethanol (160 mg, 0.696 mmol) in chlorobenzene (3 ml) and the reaction mixture stirred at room temperature for 17 hours. Water (2 ml) was added dropwise and the reaction mixture was then partitioned between dichloromethane (100 ml) and saturated NaHCO3 (30 ml). The organic layer was dried (MgSO4), filtered and concentrated under reduced pressure. The crude product was then purified by Phenomenex_Strata_SCX column chromatography eluting with methanol followed by 2N ammonia in methanol to afford the desired product. LC/MS: (PS-B3) Rt 3.58 [M+H]+ 324. the reaction mixture was then partitioned between dichloromethane (100 ml) and saturated NaHCO3 (30 ml) The organic layer was dried (MgSO4) filtered concentrated under reduced pressure The crude product was then purified by Phenomenex_Strata_SCX column chromatography eluting with methanol
Source ID: ord-db18e0e126264269806041267eeee782Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Aluminium chloride (278 mg, 2.087 mmol) was added portionwise to a stirred solution of 1-(4-Bromo-phenyl)-2-methylamino-ethanol (160 mg, 0.696 mmol) in chlorobenzene (3 ml) and the reaction mixture stirred at room temperature for 17 hours. Water (2 ml) was added dropwise and the reaction mixture was then partitioned between dichloromethane (100 ml) and saturated NaHCO3 (30 ml). The organic layer was dried (MgSO4), filtered and concentrated under reduced pressure. The crude product was then purified by Phenomenex_Strata_SCX column chromatography eluting with methanol followed by 2N ammonia in methanol to afford the desired product. LC/MS: (PS-B3) Rt 3.58 [M+H]+ 324. the reaction mixture was then partitioned between dichloromethane (100 ml) and saturated NaHCO3 (30 ml) The organic layer was dried (MgSO4) filtered concentrated under reduced pressure The crude product was then purified by Phenomenex_Strata_SCX column chromatography eluting with methanol
Source ID: ord-db18e0e126264269806041267eeee782PubChem References
These sources are listed in the compound's public database record.
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