No renderable structure data available
CCOC(=O)CC(=O)C(Cl)(Cl)ClChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | ethyl 4,4,4-trichloro-3-oxobutanoate |
|---|---|
| IUPAC Name | — |
| CAS Number | 3702-98-5 |
| Database ID | 77294 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
ethyl 4,4,4-trichloro-3-oxobutanoate (CAS 3702-98-5) 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 77294
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-b5e0226c7ed14e54badbafdab69784eaConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 3-Nitrobenzaldehyde (7.55 g, 50 mmoles), ethyl 4,4,4-trichloro-3-oxobutanoate (18.33 g, 59.5 mmoles), piperidine (0.66 ml) and hexanoic acid (0.33 ml) were heated at reflux in toluene (130 ml) for 48 hours using a Dean and Stark apparatus. The mixture was cooled, evaporated to dryness in vacuo and crystallised by trituration with ethyl acetate/petroleum ether (60°-80°). Recrystallisation from 2-propanol gave the sub-title compound (5.3 g) mp 105.5°-7°. The mixture was cooled evaporated to dryness in vacuo crystallised by trituration with ethyl acetate/petroleum ether (60°-80°) Recrystallisation from 2-propanol
Source ID: ord-0f5d9b338d8f460eab0a9a6edb5f6d22Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 4,4,4-Trichloro-3-oxo-butyric acid ethyl ester (Int 8, 1 eq) and H2NNH2.HCl (1.1 eq) are mixed in EtOH. The resulting mixture is refluxed overnight. The mixture is then evaporated and the obtained crude is purified by chromatography to give Int 9 and 5-ethoxy-2H-pyrazole-3-carboxylic acid ethyl ester (Int 10). The resulting mixture is refluxed overnight The mixture is then evaporated the obtained crude is purified by chromatography
Source ID: ord-71b12c252fd04dada538bd59c20bb483Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 3-Nitrobenzaldehyde (7.55 g, 50 mmoles), ethyl 4,4,4-trichloro-3-oxobutanoate (18.33 g, 59.5 mmoles), piperidine (0.66 ml) and hexanoic acid (0.33 ml) were heated at reflux in toluene (130 ml) for 48 hours using a Dean and Stark apparatus. The mixture was cooled, evaporated to dryness in vacuo and crystallised by trituration with ethyl acetate/petroleum ether (60°-80°). Recrystallisation from 2-propanol gave the sub-title compound (5.3 g) mp 105.5°-7°. The mixture was cooled evaporated to dryness in vacuo crystallised by trituration with ethyl acetate/petroleum ether (60°-80°) Recrystallisation from 2-propanol
Source ID: ord-0f5d9b338d8f460eab0a9a6edb5f6d22Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 3-Nitrobenzaldehyde (7.55 g, 50 mmoles), ethyl 4,4,4-trichloro-3-oxobutanoate (18.33 g, 59.5 mmoles), piperidine (0.66 ml) and hexanoic acid (0.33 ml) were heated at reflux in toluene (130 ml) for 48 hours using a Dean and Stark apparatus. The mixture was cooled, evaporated to dryness in vacuo and crystallised by trituration with ethyl acetate/petroleum ether (60°-80°). Recrystallisation from 2-propanol gave the sub-title compound (5.3 g) mp 105.5°-7°. The mixture was cooled evaporated to dryness in vacuo crystallised by trituration with ethyl acetate/petroleum ether (60°-80°) Recrystallisation from 2-propanol
Source ID: ord-0f5d9b338d8f460eab0a9a6edb5f6d22Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-b5e0226c7ed14e54badbafdab69784eaConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 4,4,4-Trichloro-3-oxo-butyric acid ethyl ester (Int 8, 1 eq) and H2NNH2.HCl (1.1 eq) are mixed in EtOH. The resulting mixture is refluxed overnight. The mixture is then evaporated and the obtained crude is purified by chromatography to give Int 9 and 5-ethoxy-2H-pyrazole-3-carboxylic acid ethyl ester (Int 10). The resulting mixture is refluxed overnight The mixture is then evaporated the obtained crude is purified by chromatography
Source ID: ord-71b12c252fd04dada538bd59c20bb483Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 4,4,4-Trichloro-3-oxo-butyric acid ethyl ester (Int 8, 1 eq) and H2NNH2.HCl (1.1 eq) are mixed in EtOH. The resulting mixture is refluxed overnight. The mixture is then evaporated and the obtained crude is purified by chromatography to give Int 9 and 5-ethoxy-2H-pyrazole-3-carboxylic acid ethyl ester (Int 10). The resulting mixture is refluxed overnight The mixture is then evaporated the obtained crude is purified by chromatography
Source ID: ord-31cc93264c994d118e695060f06583d0Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 4,4,4-Trichloro-3-oxo-butyric acid ethyl ester (Int 8, 1 eq) and H2NNH2.HCl (1.1 eq) are mixed in EtOH. The resulting mixture is refluxed overnight. The mixture is then evaporated and the obtained crude is purified by chromatography to give Int 9 and 5-ethoxy-2H-pyrazole-3-carboxylic acid ethyl ester (Int 10). The resulting mixture is refluxed overnight The mixture is then evaporated the obtained crude is purified by chromatography
Source ID: ord-31cc93264c994d118e695060f06583d0Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 3-Nitrobenzaldehyde (7.55 g, 50 mmoles), ethyl 4,4,4-trichloro-3-oxobutanoate (18.33 g, 59.5 mmoles), piperidine (0.66 ml) and hexanoic acid (0.33 ml) were heated at reflux in toluene (130 ml) for 48 hours using a Dean and Stark apparatus. The mixture was cooled, evaporated to dryness in vacuo and crystallised by trituration with ethyl acetate/petroleum ether (60°-80°). Recrystallisation from 2-propanol gave the sub-title compound (5.3 g) mp 105.5°-7°. The mixture was cooled evaporated to dryness in vacuo crystallised by trituration with ethyl acetate/petroleum ether (60°-80°) Recrystallisation from 2-propanol
Source ID: ord-0f5d9b338d8f460eab0a9a6edb5f6d22PubChem References
These sources are listed in the compound's public database record.
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