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C1=CC(=C(C(=C1F)CBr)Cl)BrChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 1-Bromo-3-bromomethyl-2-chloro-4-fluorobenzene |
|---|---|
| IUPAC Name | — |
| CAS Number | 1003608-90-9 |
| Database ID | 57998844 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
1-Bromo-3-bromomethyl-2-chloro-4-fluorobenzene (CAS 1003608-90-9) 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 57998844
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-aa41c5a230de48eba5ff0ce24a830311Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 3-bromo-2-chloro-6-fluoro-toluene (commercially available) (8.0 g), N-bromosuccinimide (“NBS”) (6.42 g) and benzoyl peroxide (catalytic amount) in carbon tetrachloride (40 ml) was heated to reflux. A 500 watt tungsten halogen lamp was used to initiate the reaction. The reaction mixture was heated to reflux and irradiated for 30 minutes. The reaction mixture was allowed to cool to ambient temperature and then filtered. The filtrate was concentrated to give a colorless oil which solidified on standing to give 1-bromo-3-bromomethyl-2-chloro-4-fluoro-benzene as an off-white solid (10.7 g). 1H-NMR (400 MHz, CDCl3): 7.58 (dd, 1H), 6.94 (t, 1H), 4.64 (d, 21-1) ppm. was heated to reflux the reaction The reaction mixture was heated to reflux irradiated for 30 minutes filtered The filtrate was concentrated to give a colorless oil which
Source ID: ord-12a5211115cf485cb1e5a8671637bd80Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 1-bromo-3-bromomethyl-2-chloro-4-fluorobenzene (9.945 g) in absolute ethanol (40 mL) was added dropwise to a solution of potassium cyanide (2.38 g) in water (2 ml) under heating over a period of 30 minutes. The reaction mixture was heated to reflux for 7 hours. The reaction mixture was then allowed to cool and stored at ambient temperature for 16 hours. The mixture was filtered and the filtrate concentrated. The residue was dissolved in ethyl acetate, dried over magnesium sulfate and concentrated to give (3-bromo-2-chloro-6-fluoro-phenyl)-acetonitrile as a pale yellow oil (8.19 g). under heating over a period of 30 minutes The reaction mixture was heated to reflux for 7 hours to cool The mixture was filtered the filtrate concentrated The residue was dissolved in ethyl acetate dried over magnesium sulfate concentrated
Source ID: ord-de79db588f0740caa9a98ff22b6735cfConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 3-Bromo-2-chloro-6-fluoro-toluene (8.0 g), N-bromosuccinimide (NBS) (6.42 g) and a catalytic amount of benzoyl peroxide in carbon tetrachloride (40 ml) were heated to reflux. A 500 watt tungsten halogen lamp was used to initiate the reaction. The reaction mixture was heated to reflux and irradiated for 30 minutes. The reaction mixture was allowed to cool and then filtered. The filtrate was concentrated to give a colourless oil which solidified on standing to give 1-bromo-3-bromomethyl-2-chloro-4-fluorobenzene as an off-white solid (10.7 g). the reaction The reaction mixture was heated to reflux irradiated for 30 minutes to cool filtered The filtrate was concentrated to give a colourless oil which
Source ID: ord-bb0dccba06ac4f86b58be026ade3954fConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-aa41c5a230de48eba5ff0ce24a830311Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 1-bromo-3-bromomethyl-2-chloro-4-fluoro-benzene (9.945 g) (Example 4.2) in absolute ethanol (40 ml) was added dropwise to a solution of potassium cyanide (2.38 g) in water (2 ml) under heating over a period of 30 minutes. The reaction mixture was heated to reflux for 7 hours. The reaction mixture was then allowed to cool to ambient temperature and then stored at ambient temperature for 16 hours. The mixture was filtered and the filtrate concentrated. The residue was dissolved in ethyl acetate, dried over magnesium sulfate and concentrated to give (3-bromo-2-chloro-6-fluoro-phenyl)-acetonitrile as a pale yellow oil (8.19 g). 1H-NMR (400 MHz, CDCl3): 3.89 (d, 2H), 7.00 (t, 1H), 7.64 (dd, 1H) ppm. under heating over a period of 30 minutes The reaction mixture was heated to reflux for 7 hours The mixture was filtered the filtrate concentrated The residue was dissolved in ethyl acetate dried over magnesium sulfate concentrated
Source ID: ord-4a7eea5143434508a8be083b4908efc9Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 3-bromo-2-chloro-6-fluoro-toluene (8.0 g), N-bromosuccinimide (“NBS”) (6.42 g) and benzoyl peroxide (catalytic amount) in carbon tetrachloride (40 ml) was heated to reflux. A 500 watt tungsten halogen lamp was used to initiate the reaction. The reaction mixture was heated to reflux and irradiated for 30 minutes. The reaction mixture was allowed to cool to ambient temperature and then filtered. The filtrate was concentrated to give a colourless oil which solidified on standing to give 1-bromo-3-bromomethyl-2-chloro-4-fluoro-benzene as an off-white solid (10.7 g). 1H-NMR (400 MHz, CDCl3): 4.64 (d, 2H), 6.94 (t, 1H), 7.58 (dd, 1H) ppm. was heated to reflux the reaction The reaction mixture was heated to reflux irradiated for 30 minutes filtered The filtrate was concentrated to give a colourless oil which
Source ID: ord-51ba7c88e265423d92f15ee6e728fa46Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 3-bromo-2-chloro-6-fluoro-toluene (commercially available) (8.0 g), N-bromosuccinimide (“NBS”) (6.42 g) and benzoyl peroxide (catalytic amount) in carbon tetrachloride (40 ml) was heated to reflux. A 500 watt tungsten halogen lamp was used to initiate the reaction. The reaction mixture was heated to reflux and irradiated for 30 minutes. The reaction mixture was allowed to cool to ambient temperature and then filtered. The filtrate was concentrated to give a colorless oil which solidified on standing to give 1-bromo-3-bromomethyl-2-chloro-4-fluoro-benzene as an off-white solid (10.7 g). 1H-NMR (400 MHz, CDCl3): 7.58 (dd, 1H), 6.94 (t, 1H), 4.64 (d, 21-1) ppm. was heated to reflux the reaction The reaction mixture was heated to reflux irradiated for 30 minutes filtered The filtrate was concentrated to give a colorless oil which
Source ID: ord-12a5211115cf485cb1e5a8671637bd80Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 1-bromo-3-bromomethyl-2-chloro-4-fluorobenzene (9.945 g) in absolute ethanol (40 mL) was added dropwise to a solution of potassium cyanide (2.38 g) in water (2 ml) under heating over a period of 30 minutes. The reaction mixture was heated to reflux for 7 hours. The reaction mixture was then allowed to cool and stored at ambient temperature for 16 hours. The mixture was filtered and the filtrate concentrated. The residue was dissolved in ethyl acetate, dried over magnesium sulfate and concentrated to give (3-bromo-2-chloro-6-fluoro-phenyl)-acetonitrile as a pale yellow oil (8.19 g). under heating over a period of 30 minutes The reaction mixture was heated to reflux for 7 hours to cool The mixture was filtered the filtrate concentrated The residue was dissolved in ethyl acetate dried over magnesium sulfate concentrated
Source ID: ord-de79db588f0740caa9a98ff22b6735cfConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 3-Bromo-2-chloro-6-fluoro-toluene (8.0 g), N-bromosuccinimide (NBS) (6.42 g) and a catalytic amount of benzoyl peroxide in carbon tetrachloride (40 ml) were heated to reflux. A 500 watt tungsten halogen lamp was used to initiate the reaction. The reaction mixture was heated to reflux and irradiated for 30 minutes. The reaction mixture was allowed to cool and then filtered. The filtrate was concentrated to give a colourless oil which solidified on standing to give 1-bromo-3-bromomethyl-2-chloro-4-fluorobenzene as an off-white solid (10.7 g). the reaction The reaction mixture was heated to reflux irradiated for 30 minutes to cool filtered The filtrate was concentrated to give a colourless oil which
Source ID: ord-bb0dccba06ac4f86b58be026ade3954fPubChem References
These sources are listed in the compound's public database record.
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