No renderable structure data available
C1=CC(=C(C=C1Cl)Br)C=OChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 2-bromo-4-chlorobenzaldehyde |
|---|---|
| IUPAC Name | — |
| CAS Number | 84459-33-6 |
| Database ID | 13154710 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
2-bromo-4-chlorobenzaldehyde (CAS 84459-33-6) 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 13154710
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-bba589250b514c6d8cd83bd15c6edf7cConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-d6c44b0d20f9438a8dfb7a2aac9a706bConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-51ddb8779803473587512eae99f6c9a7Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-4389e17d25944f6f9d498c657ddaae3bConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-92e429d28fd4433ba86422d44234a3deConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-42b93200588043de9554982f0a89de08Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-bba589250b514c6d8cd83bd15c6edf7cConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-bba589250b514c6d8cd83bd15c6edf7cConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-d6c44b0d20f9438a8dfb7a2aac9a706bConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-d6c44b0d20f9438a8dfb7a2aac9a706bConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Add 2-bromo-4-chlorobenzaldehyde (159 mg, 0.73 mmol) to a solution of (S)-1-(6-fluoropyridin-3-yl)-pyrrolidin-3-ylamine hydrochloride (144 mg, 0.66 mmol) and triethylamine (292 μL, 2.1 mmol) in methanol (5 mL). Stir the resulting mixture for 18 h. Add sodium borohydride (80 mg, 2.1 mmol). Stir for 1 h. Dilute the reaction mixture with methanol (10 mL) and pour onto a column of Dowex® 50Wx2 (H+ form). Rinse the column with methanol then elute the product with 5% triethylamine in methanol. Concentrate and dissolve the residue in methanol. Dilute with acetonitrile and concentrate to give the title compound as a oil. Dissolve the oil in methanol and add excess 1 N HCl in methanol. Concentrate to dryness and crystallize from methanol/acetonitrile to give the title compound as its hydrochloride salt, an off white solid (84 mg, 30%). Elemental analysis calculated for C16H17BrCl2FN3: C, 45.63; H, 4.07; N, 9.98. Found: C, 45.39; H, 4.02; N, 9.85. MS (ES): m/z=386 [M+H]. Stir for 1 h pour onto a column of Dowex® 50Wx2 (H+ form) Rinse the column with methanol then elute the product with 5% triethylamine in methanol Concentrate dissolve the residue in methanol Dilute with acetonitrile concentrate
Source ID: ord-9b4826f8e58f4bb9bcfda0156a4796a7Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Add 2-bromo-4-chlorobenzaldehyde (159 mg, 0.73 mmol) to a solution of (S)-1-(6-fluoropyridin-3-yl)-pyrrolidin-3-ylamine hydrochloride (144 mg, 0.66 mmol) and triethylamine (292 μL, 2.1 mmol) in methanol (5 mL). Stir the resulting mixture for 18 h. Add sodium borohydride (80 mg, 2.1 mmol). Stir for 1 h. Dilute the reaction mixture with methanol (10 mL) and pour onto a column of Dowex® 50Wx2 (H+ form). Rinse the column with methanol then elute the product with 5% triethylamine in methanol. Concentrate and dissolve the residue in methanol. Dilute with acetonitrile and concentrate to give the title compound as a oil. Dissolve the oil in methanol and add excess 1 N HCl in methanol. Concentrate to dryness and crystallize from methanol/acetonitrile to give the title compound as its hydrochloride salt, an off white solid (84 mg, 30%). Elemental analysis calculated for C16H17BrCl2FN3: C, 45.63; H, 4.07; N, 9.98. Found: C, 45.39; H, 4.02; N, 9.85. MS (ES): m/z=386 [M+H]. Stir for 1 h pour onto a column of Dowex® 50Wx2 (H+ form) Rinse the column with methanol then elute the product with 5% triethylamine in methanol Concentrate dissolve the residue in methanol Dilute with acetonitrile concentrate
Source ID: ord-9b4826f8e58f4bb9bcfda0156a4796a7PubChem References
These sources are listed in the compound's public database record.
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