Reaction #4176612
Related Literature (1)
openreactiondata ↗doi:10.1039/C8SC04228D
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-d94d5e45e3c94f488545bc45226839d5No renderable structure data available
C1=C(C=C(C(=C1Cl)C(=O)Cl)Cl)ClChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 2,4,6-trichlorobenzoyl chloride |
|---|---|
| IUPAC Name | — |
| CAS Number | 4136-95-2 |
| Database ID | 2733703 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
2,4,6-trichlorobenzoyl chloride (CAS 4136-95-2) 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 2733703
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-d94d5e45e3c94f488545bc45226839d5Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-d2f04d4470f04a8687522325a8fba096Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-49b629600e254d779de1152bb41b1e19Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-f650195d746b4b9885a326138ba1497cConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-742e04f804e64fcc8543cfdc57b46739Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-5fc2d5d36eaa43a4a9fdb64f023b7682Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-9319e3a1b90646278bb39507a76f4b37Conditions: temp:0.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of rac-cyclopentyloxy-(3,4-dichloro-phenyl)-acetic acid (from Example 1, 50 mg, 0.17 mmol) and triethylamine (0.07 mL, 0.52 mmol) in toluene (5 mL), previously cooled to 0° C. was treated with 2,4,6-trichlorobenzoyl chloride (0.03 mL, 0.19 mmol) and the mixture was stirred at 0° C. After 1 h, 2-aminopyridine (20 mg, 0.21 mmol) and 4-dimethylaminopyridine (5 mg, 0.035 mmol) were added and the stirring was continued for 1 h at 0° C. The reaction was checked for completion, then it was diluted with water (10 mL) and extracted with dichloromethane (3×10 mL). The combined organic extracts were dried over sodium sulfate, filtered and concentrated in vacuo. The product was purified by chromatography (Biotage Flash 12M column, 80/20 hexanes/ethyl acetate) to give rac-2-cyclopentyloxy-2-(3,4-dichloro-phenyl)-N-pyridin-2-yl-acetamide (48 mg, 76% yield) as a white foam: EI-HRMS m/e calculated for C18H18N2O2Cl2 (M+) 364.0745, found 364.0746. the stirring was continued for 1 h at 0° C extracted with dichloromethane (3×10 mL) The combined organic extracts were dried over sodium sulfate filtered concentrated in vacuo The product was purified by chromatography (Biotage Flash 12M column, 80/20 hexanes/ethyl acetate)
Source ID: ord-3e343e133930445fb76d5cf9aaf1bcecConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 2-ethoxy-1-{[2′-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylic acid (4.0 g) and triethylamine (1.3 mL) in THF (50 mL) was added dropwise 2,4,6-trichlorobenzoyl chloride (1.4 mL) under ice-cooling. After stirring at room temperature for 12 hrs., insoluble material was filtered off and the filtrate was concentrated. The residue was dissolved in methylene chloride (50 mL) and 5-oxotetrahydro-2-furanyl (0.67 g) and N,N-dimethylaminopyridine (1.0 g) were added under ice-cooling. After stirring at room temperature for 4 hrs., the reaction mixture was diluted with chloroform (150 mL), washed with water, saturated aqueous sodium hydrogen carbonate, 1 N hydrochloric acid and saturated brine, dried over anhydrous sodium sulfate and concentrated. The residue was purified by silica gel column chromatography to give the title compound (0.16 g, 3.3%) as a colorless solid. cooling , insoluble material was filtered off the filtrate was concentrated The residue was dissolved in methylene chloride (50 mL) 5-oxotetrahydro-2-furanyl (0.67 g) and N,N-dimethylaminopyridine (1.0 g) were added under ice- cooling After stirring at room temperature for 4 hrs , the reaction mixture was diluted with chloroform (150 mL) washed with water, saturated aqueous sodium hydrogen carbonate, 1 N hydrochloric acid and saturated brine dried over anhydrous sodium sulfate concentrated The residue was purified by silica gel column chromatography
Source ID: ord-ad5ff181277f4417b42e3c6262a4527bConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of 2-ethoxy-1-{[2′-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylic acid (4.0 g) and triethylamine (1.3 mL) in THF (50 mL) was added dropwise 2,4,6-trichlorobenzoyl chloride (1.4 mL) under ice-cooling. After stirring at room temperature for 12 hrs., insoluble material was filtered off and the filtrate was concentrated. The residue was dissolved in methylene chloride (50 mL) and 5-oxotetrahydro-2-furanyl (0.67 g) and N,N-dimethylaminopyridine (1.0 g) were added under ice-cooling. After stirring at room temperature for 4 hrs., the reaction mixture was diluted with chloroform (150 mL), washed with water, saturated aqueous sodium hydrogen carbonate, 1 N hydrochloric acid and saturated brine, dried over anhydrous sodium sulfate and concentrated. The residue was purified by silica gel column chromatography to give the title compound (0.16 g, 3.3%) as a colorless solid. cooling , insoluble material was filtered off the filtrate was concentrated The residue was dissolved in methylene chloride (50 mL) 5-oxotetrahydro-2-furanyl (0.67 g) and N,N-dimethylaminopyridine (1.0 g) were added under ice- cooling After stirring at room temperature for 4 hrs , the reaction mixture was diluted with chloroform (150 mL) washed with water, saturated aqueous sodium hydrogen carbonate, 1 N hydrochloric acid and saturated brine dried over anhydrous sodium sulfate concentrated The residue was purified by silica gel column chromatography
Source ID: ord-ad5ff181277f4417b42e3c6262a4527bConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 4-{4-[7-(4-cyano-3-trifluoromethylphenyl)-8-oxo-6-thioxo-5,7-diaza-spiro[3.4]oct-5-yl]phenyl}butanoic acid (42c) (0.049 g, 0.1 mmol), 2,4,6-trichlorobenzoyl chloride (0.244 g, 1 mmol), 4-dimethylaminopyridine (0.122 g, 1 mmol) and methanesulfonamide (0.019 g, 0.2 mmol) in dichloromethane was stirred at room temperature for 20 hours. The mixture was concentrated and chromatographed (dichloromethane:acetone, 80:20) to yield N-(4-{4-[7-(4-cyano-3-trifluoromethylphenyl)-8-oxo-6-thioxo-5,7-diaza-spiro[3.4]oct-5-yl]phenyl}-butanoyl)-methanesulfonamide (42f) [RD157] (0.053 g, 0.094 mmol, 94%), the structure of which is illustrated in Formula 8, as a white powder. The mixture was concentrated chromatographed (dichloromethane:acetone, 80:20)
Source ID: ord-836c16a69af14086a995382aa49da344Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 4-{4-[7-(4-cyano-3-trifluoromethylphenyl)-8-oxo-6-thioxo-5,7-diaza-spiro[3.4]oct-5-yl]phenyl}butanoic acid (42c) (0.049 g, 0.1 mmol), 2,4,6-trichlorobenzoyl chloride (0.244 g, 1 mmol), 4-dimethylaminopyridine (0.122 g, 1 mmol) and methanesulfonamide (0.019 g, 0.2 mmol) in dichloromethane was stirred at room temperature for 20 hours. The mixture was concentrated and chromatographed (dichloromethane:acetone, 80:20) to yield N-(4-{4-[7-(4-cyano-3-trifluoromethylphenyl)-8-oxo-6-thioxo-5,7-diaza-spiro[3.4]oct-5-yl]phenyl}-butanoyl)-methanesulfonamide (42f) [RD157] (0.053 g, 0.094 mmol, 94%), the structure of which is illustrated in Formula 8, as a white powder. The mixture was concentrated chromatographed (dichloromethane:acetone, 80:20)
Source ID: ord-836c16a69af14086a995382aa49da344PubChem References
These sources are listed in the compound's public database record.
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