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CC(=O)C1=CC(=C(C(=C1)F)O)FChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 1-(3,5-difluoro-4-hydroxyphenyl)ethanone |
|---|---|
| IUPAC Name | — |
| CAS Number | 133186-55-7 |
| Database ID | 15151338 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
1-(3,5-difluoro-4-hydroxyphenyl)ethanone (CAS 133186-55-7) 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 15151338
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-a75f828170bf4feeb793b1edaed7b0ebConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-aaaf47c76da1468ca2f167ed6f2757c3Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-a75f828170bf4feeb793b1edaed7b0ebConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-a75f828170bf4feeb793b1edaed7b0ebConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 1-(3,5-difluoro-4-hydroxyphenyl)ethanone (8.1 g, 47 mmol), 3-bromo-1-chloropropane (14.7 g, 93 mmol) and K2CO3 (21.3 g, 154 mmol) in acetone (120 mL) was stirred at reflux for 20 h. The reaction was cooled to rt and concentrated at reduced pressure, then partitioned between water and methylene chloride. The aqueous layer was extracted twice with methylene chloride to obtain 1-[4-(3-chloropropoxy)-3,5-difluoro-phenyl]ethanone (12.9 g, quantitative yield); MS m/z 249 (M+H). at reflux for 20 h concentrated at reduced pressure partitioned between water and methylene chloride The aqueous layer was extracted twice with methylene chloride
Source ID: ord-2ce2e3fb695642519cc47f2420824a23Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 1-(3,5-difluoro-4-methoxyphenyl)ethanone (12 g, 64.5 mmol) and 48% aqueous HBr (32 mL) was stirred at reflux for 30 h. The reaction was cooled to rt and diluted with water and the aqueous layer was extracted twice with methylene chloride. The combined organics were dried (Na2SO4), filtered, and concentrated to give 1-(3,5-difluoro-4-hydroxyphenyl)ethanone (10 g, 91%), mp 141-143° C.; MS m/z 171 (M−H). at reflux for 30 h the aqueous layer was extracted twice with methylene chloride The combined organics were dried (Na2SO4) filtered concentrated
Source ID: ord-ebba247cacdc419cac68509994e37e2eConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 1-(3,5-difluoro-4-methoxyphenyl)ethanone (12 g, 64.5 mmol) and 48% aqueous HBr (32 mL) was stirred at reflux for 30 h. The reaction was cooled to rt and diluted with water and the aqueous layer was extracted twice with methylene chloride. The combined organics were dried (Na2SO4), filtered, and concentrated to give 1-(3,5-difluoro-4-hydroxyphenyl)ethanone (10 g, 91%), mp 141-143° C.; MS m/z 171 (M−H). at reflux for 30 h the aqueous layer was extracted twice with methylene chloride The combined organics were dried (Na2SO4) filtered concentrated
Source ID: ord-ebba247cacdc419cac68509994e37e2eConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 1-(3,5-difluoro-4-hydroxyphenyl)ethanone (8.1 g, 47 mmol), 3-bromo-1-chloropropane (14.7 g, 93 mmol) and K2CO3 (21.3 g, 154 mmol) in acetone (120 mL) was stirred at reflux for 20 h. The reaction was cooled to rt and concentrated at reduced pressure, then partitioned between water and methylene chloride. The aqueous layer was extracted twice with methylene chloride to obtain 1-[4-(3-chloropropoxy)-3,5-difluoro-phenyl]ethanone (12.9 g, quantitative yield); MS m/z 249 (M+H). at reflux for 20 h concentrated at reduced pressure partitioned between water and methylene chloride The aqueous layer was extracted twice with methylene chloride
Source ID: ord-1d695e6d9d7e441686033432e88c81e7Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 1-(3,5-difluoro-4-methoxyphenyl)ethanone (12 g, 64.5 mmol) and 48% aqueous HBr (32 mL) was stirred at reflux for 30 h. The reaction was cooled to rt and diluted with water and the aqueous layer was extracted twice with methylene chloride. The combined organics were dried (Na2SO4), filtered, and concentrated to give 1-(3,5-difluoro-4-hydroxyphenyl)ethanone (10 g, 91%), mp 141-143° C.; MS m/z 171 (M−H). at reflux for 30 h the aqueous layer was extracted twice with methylene chloride The combined organics were dried (Na2SO4) filtered concentrated
Source ID: ord-b7f24d533f3446208c74a6c4dcfea0bbConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 1-(3,5-difluoro-4-hydroxyphenyl)ethanone (8.1 g, 47 mmol), 3-bromo-1-chloropropane (14.7 g, 93 mmol) and K2CO3 (21.3 g, 154 mmol) in acetone (120 mL) was stirred at reflux for 20 h. The reaction was cooled to rt and concentrated at reduced pressure, then partitioned between water and methylene chloride. The aqueous layer was extracted twice with methylene chloride to obtain 1-[4-(3-chloropropoxy)-3,5-difluoro-phenyl]ethanone (12.9 g, quantitative yield); MS m/z 249 (M+H). at reflux for 20 h concentrated at reduced pressure partitioned between water and methylene chloride The aqueous layer was extracted twice with methylene chloride
Source ID: ord-1d695e6d9d7e441686033432e88c81e7Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 1-(3,5-difluoro-4-methoxyphenyl)ethanone (12 g, 64.5 mmol) and 48% aqueous HBr (32 mL) was stirred at reflux for 30 h. The reaction was cooled to rt and diluted with water and the aqueous layer was extracted twice with methylene chloride. The combined organics were dried (Na2SO4), filtered, and concentrated to give 1-(3,5-difluoro-4-hydroxyphenyl)ethanone (10 g, 91%), mp 141-143° C.; MS m/z 171 (M−H). at reflux for 30 h the aqueous layer was extracted twice with methylene chloride The combined organics were dried (Na2SO4) filtered concentrated
Source ID: ord-b7f24d533f3446208c74a6c4dcfea0bbConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-aaaf47c76da1468ca2f167ed6f2757c3PubChem References
These sources are listed in the compound's public database record.
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