No renderable structure data available
C1=CC(=CC=C1C(=O)CCBr)BrChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 3-bromo-1-(4-bromophenyl)propan-1-one |
|---|---|
| IUPAC Name | — |
| CAS Number | 33994-13-7 |
| Database ID | 12382119 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
3-bromo-1-(4-bromophenyl)propan-1-one (CAS 33994-13-7) 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 12382119
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
11 reactions · 11 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-4c03d799eb004f8db4b99814c8e8833eConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-5aa87c9060544510aedf2b5e6764f828Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: NaBH4 (1.5 g, 39.7 mmol) was added by portions to a solution of 3-bromo-1-(4-bromophenyl)propan-1-one (11.7 g, 40 mmol) (Preparation 5) in MeOH while keeping the temperature below 10° C. After 1 h at RT, 1N aqueous hydrochloric acid was added at 5° C. to pH=1 and the mixture was concentrated in vacuum. The residue was dissolved in water and extracted three times with DCM. The organic layer was dried over Na2SO4 and concentrated to yield 3-bromo-1-(4-bromophenyl)propan-1-ol as a yellow oil (11.1 g). 1H NMR (CDCl3): 7.47 (2H, d, J=8.3 Hz), 7.22 (2H, d, J=8.3 Hz), 4.87 (1H, br s), 3.50-3.62 (1H, m), 3.31-3.42 (1H, m), 2.35 (1H, OH, br s), 2-2.31 (2H, m). the temperature below 10° C the mixture was concentrated in vacuum The residue was dissolved in water extracted three times with DCM The organic layer was dried over Na2SO4 concentrated
Source ID: ord-32b59c794ac84cd98faa6e03cfed69c3Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: NaBH4 (1.5 g, 39.7 mmol) was added by portions to a solution of 3-bromo-1-(4-bromophenyl)propan-1-one (11.7 g, 40 mmol) (Preparation 5) in MeOH while keeping the temperature below 10° C. After 1 h at RT, 1N aqueous hydrochloric acid was added at 5° C. to pH=1 and the mixture was concentrated in vacuum. The residue was dissolved in water and extracted three times with DCM. The organic layer was dried over Na2SO4 and concentrated to yield 3-bromo-1-(4-bromophenyl)propan-1-ol as a yellow oil (11.1 g). 1H NMR (CDCl3): 7.47 (2H, d, J=8.3 Hz), 7.22 (2H, d, J=8.3 Hz), 4.87 (1H, br s), 3.50-3.62 (1H, m), 3.31-3.42 (1H, m), 2.35 (1H, OH, br s), 2-2.31 (2H, m). the temperature below 10° C the mixture was concentrated in vacuum The residue was dissolved in water extracted three times with DCM The organic layer was dried over Na2SO4 concentrated
Source ID: ord-32b59c794ac84cd98faa6e03cfed69c3Conditions: temp:50.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: AlCl3 (23.8 g, 178 mmol) was added by portions to bromobenzene (155 ml, 1.47 mol) at 0° C. 3-Bromopropionyl chloride (25 g, 146 mmol) was added dropwise to the red solution kept at 0° C. over 30 min. After 1 h at RT, the reaction mixture was heated to 50° C. for 1 h. After cooling, the mixture was poured over ice/water and extracted with DCM. The organic layer was dried over Na2SO4 and concentrated to yield 3-bromo-1-(4-bromophenyl)propan-1-one (36 g) which was crystallized from petroleum ether (mp=66° C.). 1H NMR (CDCl3): 7.82 (2H, d, J=8.5 Hz), 7.62 (2H, d, J=8.5 Hz), 3.73 (2H, t, J=6.5 Hz), 3.55 (2H, t, J=6.5 Hz). After 1 h at RT After cooling extracted with DCM The organic layer was dried over Na2SO4 concentrated
Source ID: ord-301e3bc9c0114939ad2d738ac3beaea7Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-4c03d799eb004f8db4b99814c8e8833eConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-5aa87c9060544510aedf2b5e6764f828Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: NaBH4 (1.5 g, 39.7 mmol) was added by portions to a solution of 3-bromo-1-(4-bromophenyl)propan-1-one (11.7 g, 40 mmol) (Preparation 5) in MeOH while keeping the temperature below 10° C. After 1 h at RT, 1N aqueous hydrochloric acid was added at 5° C. to pH=1 and the mixture was concentrated in vacuum. The residue was dissolved in water and extracted three times with DCM. The organic layer was dried over Na2SO4 and concentrated to yield 3-bromo-1-(4-bromophenyl)propan-1-ol as a yellow oil (11.1 g). 1H NMR (CDCl3): 7.47 (2H, d, J=8.3 Hz), 7.22 (2H, d, J=8.3 Hz), 4.87 (1H, br s), 3.50–3.62 (1H, m), 3.31–3.42 (1H, m), 2.35 (1H, OH, br s), 2–2.31 (2H, m). the temperature below 10° C the mixture was concentrated in vacuum The residue was dissolved in water extracted three times with DCM The organic layer was dried over Na2SO4 concentrated
Source ID: ord-cf1a9a59f9ca487388bf4e396618b9aaConditions: temp:50.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: AlCl3 (23.8 g, 178 mmol) was added by portions to bromobenzene (155 ml, 1.47 mol) at 0° C. 3-Bromopropionyl chloride (25 g, 146 mmol) was added dropwise to the red solution kept at 0° C. over 30 min. After 1 h at RT, the reaction mixture was heated to 50° C. for 1 h. After cooling, the mixture was poured over ice/water and extracted with DCM. The organic layer was dried over Na2SO4 and concentrated to yield 3-bromo-1-(4-bromophenyl)propan-1-one (36 g) which was crystallized from petroleum ether (mp=66° C.). 1H NMR (CDCl3): 7.82 (2H, d, J=8.5 Hz), 7.62 (2H, d, J=8.5 Hz), 3.73 (2H, t, J=6.5 Hz), 3.55 (2H, t, J=6.5 Hz). After 1 h at RT After cooling extracted with DCM The organic layer was dried over Na2SO4 concentrated
Source ID: ord-0c37282cc8b64bfaa39e6296202f8b8fConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: NaBH4 (1.5 g, 39.7 mmol) was added by portions to a solution of 3-bromo-1-(4-bromophenyl)propan-1-one (11.7 g, 40 mmol) (Preparation 5) in MeOH while keeping the temperature below 10° C. After 1 h at RT, 1N aqueous hydrochloric acid was added at 5° C. to pH=1 and the mixture was concentrated in vacuum. The residue was dissolved in water and extracted three times with DCM. The organic layer was dried over Na2SO4 and concentrated to yield 3-bromo-1-(4-bromophenyl)propan-1-ol as a yellow oil (11.1 g). 1H NMR (CDCl3): 7.47 (2H, d, J=8.3 Hz), 7.22 (2H, d, J=8.3 Hz), 4.87 (1H, br s), 3.50-3.62 (1H, m), 3.31-3.42 (1H, m), 2.35 (1H, OH, br s), 2-2.31 (2H, m). the temperature below 10° C the mixture was concentrated in vacuum The residue was dissolved in water extracted three times with DCM The organic layer was dried over Na2SO4 concentrated
Source ID: ord-32b59c794ac84cd98faa6e03cfed69c3Conditions: temp:50.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: AlCl3 (23.8 g, 178 mmol) was added by portions to bromobenzene (155 ml, 1.47 mol) at 0° C. 3-Bromopropionyl chloride (25 g, 146 mmol) was added dropwise to the red solution kept at 0° C. over 30 min. After 1 h at RT, the reaction mixture was heated to 50° C. for 1 h. After cooling, the mixture was poured over ice/water and extracted with DCM. The organic layer was dried over Na2SO4 and concentrated to yield 3-bromo-1-(4-bromophenyl)propan-1-one (36 g) which was crystallized from petroleum ether (mp=66° C.). 1H NMR (CDCl3): 7.82 (2H, d, J=8.5 Hz), 7.62 (2H, d, J=8.5 Hz), 3.73 (2H, t, J=6.5 Hz), 3.55 (2H, t, J=6.5 Hz). After 1 h at RT After cooling extracted with DCM The organic layer was dried over Na2SO4 concentrated
Source ID: ord-301e3bc9c0114939ad2d738ac3beaea7PubChem References
These sources are listed in the compound's public database record.
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