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CC(C(=O)C)OC1=CC=C(C=C1)ClChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 3-(4-chlorophenoxy)butan-2-one |
|---|---|
| IUPAC Name | — |
| CAS Number | 3782-11-4 |
| Database ID | 3722632 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
3-(4-chlorophenoxy)butan-2-one (CAS 3782-11-4) 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 3722632
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-5d1ddf88df7a43caaa56e4c1e489ad19Conditions: temp:120.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 3-(4-chlorophenoxy)-2-butanone (34.50 g) and N,N-dimethylformamide dimethylacetal (20.70 g) was heated under argon in an oil bath at 120° C. for 13 hours. The methanol produced in the reaction was removed under reduced pressure and the residual oil was triturated with n-hexane. The solid was collected by filtration and washed with cold diethyl ether to give 4-(4-chlorophenoxy)-1-(dimethylamino)-1-penten-3-one. Yield 32.50 g. was removed under reduced pressure the residual oil was triturated with n-hexane The solid was collected by filtration washed with cold diethyl ether
Source ID: ord-07a818f0fb74421495b63567ca34fa2aConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 82 g of ammonium acetate and 6.7 g of sodium cyanoborohydride were added to a solution containing 21 g of 3-(4-chlorophenoxy)-2-butanone dissolved in 500 mL of methanol, and the reaction mixture was stirred for 20 hours at room temperature. The reaction mixture was then concentrated under reduced pressure, and 180 mL of concentrated hydrochloric acid and 100 mL of water were added to the residue. The whole mixture was extracted with 300 mL of diethyl ether. The obtained water layer was alkalifled using a 5% aqueous solution of sodium hydroxide, and then extracted with 500 mL of ethyl acetate. The organic layer was washed with water, dried over anhydrous magnesium sulfate, and then concentrated under reduced pressure. A fraction possessing a low boiling point was removed from the obtained oily products to afford 18 g (yield 86%) of the desired product. Refractive index: 1.5360. The reaction mixture was then concentrated under reduced pressure, and 180 mL of concentrated hydrochloric acid and 100 mL of water were added to the residue The whole mixture was extracted with 300 mL of diethyl ether extracted with 500 mL of ethyl acetate The organic layer was washed with water dried over anhydrous magnesium sulfate concentrated under reduced pressure was removed from the obtained oily products
Source ID: ord-af2de60e1e754abb8358597255083dbfConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-5d1ddf88df7a43caaa56e4c1e489ad19Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 82 g of ammonium acetate and 6.7 g of sodium cyanoborohydride were added to a solution containing 21 g of 3-(4-chlorophenoxy)-2-butanone dissolved in 500 mL of methanol, and the reaction mixture was stirred for 20 hours at room temperature. The reaction mixture was then concentrated under reduced pressure, and 180 mL of concentrated hydrochloric acid and 100 mL of water were added to the residue. The whole mixture was extracted with 300 mL of diethyl ether. The obtained water layer was alkalifled using a 5% aqueous solution of sodium hydroxide, and then extracted with 500 mL of ethyl acetate. The organic layer was washed with water, dried over anhydrous magnesium sulfate, and then concentrated under reduced pressure. A fraction possessing a low boiling point was removed from the obtained oily products to afford 18 g (yield 86%) of the desired product. Refractive index: 1.5360. The reaction mixture was then concentrated under reduced pressure, and 180 mL of concentrated hydrochloric acid and 100 mL of water were added to the residue The whole mixture was extracted with 300 mL of diethyl ether extracted with 500 mL of ethyl acetate The organic layer was washed with water dried over anhydrous magnesium sulfate concentrated under reduced pressure was removed from the obtained oily products
Source ID: ord-af2de60e1e754abb8358597255083dbfConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 82 g of ammonium acetate and 6.7 g of sodium cyanoborohydride were added to a solution containing 21 g of 3-(4-chlorophenoxy)-2-butanone dissolved in 500 ml of methanol, and the reaction mixture was stirred for 20 hours at room temperature. After the reaction mixture was concentrated under reduced pressure, 180 ml of concentrated hydrochloric acid, 100 ml of water, and 300 ml of diethyl ether were added to the residue. The obtained water layer was alkalified using a 5% aqueous solution of sodium hydroxide, and then the organic substances were extracted with 500 ml of ethyl acetate. The organic layer was washed with water, dried over anhydrous magnesium sulfate, and then concentrated under reduced pressure. A fraction possessing a low boiling point was removed from the obtained oily products to afford 18 g (yield 86%) of the desired product. After the reaction mixture was concentrated under reduced pressure, 180 ml of concentrated hydrochloric acid, 100 ml of water, and 300 ml of diethyl ether were added to the residue the organic substances were extracted with 500 ml of ethyl acetate The organic layer was washed with water dried over anhydrous magnesium sulfate concentrated under reduced pressure was removed from the obtained oily products
Source ID: ord-7bca85b58ba14edd93d1a42b3fda365bConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 82 g of ammonium acetate and 6.7 g of sodium cyanoborohydridc were added to a solution containing 21 g of 3-(4-chlorophenoxy)-2-butanone dissolved in 500 mL of methanol, and the reaction mixture was stirred for 20 hours at room temperature. The reaction mixture was then concentrated under reduced pressure, and 180 mL of concentrated hydrochloric acid and 100 mL of water were added to the residue. The whole mixture was extracted with 300 mL of diethyl ether. The obtained water layer was alkalifled using a 5% aqueous solution of sodium hydroxide, and then extracted with 500 mL of ethyl acetate. The organic layer was washed with water, dried over anhydrous magnesium sulphate, and then concentrated under reduced pressure. A fraction possessing a low boiling point was removed from the obtained oily products to afford 18 g (yield 86%) of the desired product. Refractive index: 1.5360. The reaction mixture was then concentrated under reduced pressure, and 180 mL of concentrated hydrochloric acid and 100 mL of water were added to the residue The whole mixture was extracted with 300 mL of diethyl ether extracted with 500 mL of ethyl acetate The organic layer was washed with water dried over anhydrous magnesium sulphate concentrated under reduced pressure was removed from the obtained oily products
Source ID: ord-88648b4a5d8b4b08939df9b55f31b2f8Conditions: temp:120.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 3-(4-chlorophenoxy)-2-butanone (34.50 g) and N,N-dimethylformamide dimethylacetal (20.70 g) was heated under argon in an oil bath at 120° C. for 13 hours. The methanol produced in the reaction was removed under reduced pressure and the residual oil triturated with n-hexane. The solid was collected by filtration and washed with cold diethyl ether to give 4-(4-chlorophenoxy)-1-(dimethylamino)-1-penten-3-one. Yield 32.50 g. was removed under reduced pressure the residual oil triturated with n-hexane The solid was collected by filtration washed with cold diethyl ether
Source ID: ord-668f3b7f3407401e8cf080dfc7ea133bConditions: temp:120.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 3-(4-chlorophenoxy)-2-butanone (34.50 g) and N,N-dimethylformamide dimethylacetal (20.70 g) was heated under argon in an oil bath at 120° C. for 13 hours. The methanol produced in the reaction was removed under reduced pressure and the residual oil was triturated with n-hexane. The solid was collected by filtration and washed with cold diethyl ether to give 4-(4-chlorophenoxy)-1-(dimethylamino)-1-penten-3-one. Yield 32.50 g. was removed under reduced pressure the residual oil was triturated with n-hexane The solid was collected by filtration washed with cold diethyl ether
Source ID: ord-07a818f0fb74421495b63567ca34fa2aConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: 82 g of ammonium acetate and 6.7 g of sodium cyanoborohydride were added to a solution containing 21 g of 3-(4-chlorophenoxy)-2-butanone dissolved in 500 mL of methanol, and the reaction mixture was stirred for 20 hours at room temperature. The reaction mixture was then concentrated under reduced pressure, and 180 mL of concentrated hydrochloric acid and 100 mL of water were added to the residue. The whole mixture was extracted with 300 mL of diethyl ether. The obtained water layer was alkalifled using a 5% aqueous solution of sodium hydroxide, and then extracted with 500 mL of ethyl acetate. The organic layer was washed with water, dried over anhydrous magnesium sulfate, and then concentrated under reduced pressure. A fraction possessing a low boiling point was removed from the obtained oily products to afford 18 g (yield 86%) of the desired product. Refractive index: 1.5360. The reaction mixture was then concentrated under reduced pressure, and 180 mL of concentrated hydrochloric acid and 100 mL of water were added to the residue The whole mixture was extracted with 300 mL of diethyl ether extracted with 500 mL of ethyl acetate The organic layer was washed with water dried over anhydrous magnesium sulfate concentrated under reduced pressure was removed from the obtained oily products
Source ID: ord-af2de60e1e754abb8358597255083dbfPubChem References
These sources are listed in the compound's public database record.
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