No renderable structure data available
CCN(CC)CCCC(=O)OChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 4-(diethylamino)butanoic acid |
|---|---|
| IUPAC Name | — |
| CAS Number | 63867-13-0 |
| Database ID | 44844 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
4-(diethylamino)butanoic acid (CAS 63867-13-0) 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 44844
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-bb9ed5fccbe3462898ae0801c7744f2eConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-eb3f62bfa66b497fb13bde0fae85c97dConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-bb9ed5fccbe3462898ae0801c7744f2eConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: N,N'-Carbonyldiimidazole (11.2 g) was added to a suspension of 4-(N,N-diethylamino)butanoic acid (10.0 g) in tetrahydrofuran (400 ml), and the mixture was stirred at room temperature for 6 hours. Then monoethyl malonate magnesium salt (Mg(OCOCH2COOC2H5)2)(19.8 g) was added, and the mixture was stirred at room temperature for 14 hours. The reaction mixture was concentrated under reduced pressure, and the residue was dissolved in chloroform. The chloroform layer was washed with water and dried over magnesium sulfate, and the solvent was evaporated under reduced pressure. The residue was subjected to column chromatography on silica gel. The fractions eluted with chloroform-methanol (5:1, v/v) gave ethyl 6-(N,N-diethylamino)-3-oxohexanoate (7.6 g, 53%). the mixture was stirred at room temperature for 14 hours The reaction mixture was concentrated under reduced pressure the residue was dissolved in chloroform The chloroform layer was washed with water dried over magnesium sulfate the solvent was evaporated under reduced pressure The fractions eluted with chloroform-methanol (5:1
Source ID: ord-1aa01b3a962a409bae844d5545a2ce98Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: N,N'-Carbonyldiimidazole (11.2 g) was added to a suspension of 4-(N,N-diethylamino)butanoic acid (10.0 g) in tetrahydrofuran (400 ml), and the mixture was stirred at room temperature for 6 hours. Then monoethyl malonate magnesium salt (Mg(OCOCH2COOC2H5)2)(19.8 g) was added, and the mixture was stirred at room temperature for 14 hours. The reaction mixture was concentrated under reduced pressure, and the residue was dissolved in chloroform. The chloroform layer was washed with water and dried over magnesium sulfate, and the solvent was evaporated under reduced pressure. The residue was subjected to column chromatography on silica gel. The fractions eluted with chloroform-methanol (5:1, v/v) gave ethyl 6-(N,N-diethylamino)-3-oxohexanoate (7.6 g, 53%). the mixture was stirred at room temperature for 14 hours The reaction mixture was concentrated under reduced pressure the residue was dissolved in chloroform The chloroform layer was washed with water dried over magnesium sulfate the solvent was evaporated under reduced pressure The fractions eluted with chloroform-methanol (5:1
Source ID: ord-1aa01b3a962a409bae844d5545a2ce98Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of benzyl 4-(N,N-diethylamino)butanoate (33.8 g), palladium-carbon (5%, 7 g) and ethanol (500 ml) was subjected to catalytic hydrogenation at room temperature and 1 atm. The catalyst was filtered off, and the filtrate was concentrated under reduced pressure to give 4-(N,N-diethylamino)butanoic acid (16.2 g, 75%). mp. 45°-47° C. was subjected to catalytic hydrogenation at room temperature The catalyst was filtered off the filtrate was concentrated under reduced pressure
Source ID: ord-202be315fad54cc1b36e00ad8c2182b2Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of benzyl 4-(N,N-diethylamino)butanoate (33.8 g), palladium-carbon (5%, 7 g) and ethanol (500 ml) was subjected to catalytic hydrogenation at room temperature and 1 atm. The catalyst was filtered off, and the filtrate was concentrated under reduced pressure to give 4-(N,N-diethylamino)butanoic acid (16.2 g, 75%). mp. 45°-47° C. was subjected to catalytic hydrogenation at room temperature The catalyst was filtered off the filtrate was concentrated under reduced pressure
Source ID: ord-202be315fad54cc1b36e00ad8c2182b2Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: N,N'-Carbonyldiimidazole (11.2 g) was added to a suspension of 4-(N,N-diethylamino)butanoic acid (10.0 g) in tetrahydrofuran (400 ml), and the mixture was stirred at room temperature for 6 hours. Then monoethyl malonate magnesium salt (Mg(OCOCH2COOC2H5)2)(19.8 g) was added, and the mixture was stirred at room temperature for 14 hours. The reaction mixture was concentrated under reduced pressure, and the residue was dissolved in chloroform. The chloroform layer was washed with water and dried over magnesium sulfate, and the solvent was evaporated under reduced pressure. The residue was subjected to column chromatography on silica gel. The fractions eluted with chloroform-methanol (5:1, v/v) gave ethyl 6-(N,N-diethylamino)-3-oxohexanoate (7.6 g, 53%). the mixture was stirred at room temperature for 14 hours The reaction mixture was concentrated under reduced pressure the residue was dissolved in chloroform The chloroform layer was washed with water dried over magnesium sulfate the solvent was evaporated under reduced pressure The fractions eluted with chloroform-methanol (5:1
Source ID: ord-1aa01b3a962a409bae844d5545a2ce98Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of benzyl 4-(N,N-diethylamino)butanoate (33.8 g), palladium-carbon (5%, 7 g) and ethanol (500 ml) was subjected to catalytic hydrogenation at room temperature and 1 atm. The catalyst was filtered off, and the filtrate was concentrated under reduced pressure to give 4-(N,N-diethylamino)butanoic acid (16.2 g, 75%). mp. 45°-47° C. was subjected to catalytic hydrogenation at room temperature The catalyst was filtered off the filtrate was concentrated under reduced pressure
Source ID: ord-202be315fad54cc1b36e00ad8c2182b2Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-eb3f62bfa66b497fb13bde0fae85c97dConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: N,N'-Carbonyldiimidazole (11.2 g) was added to a suspension of 4-(N,N-diethylamino)butanoic acid (10.0 g) in tetrahydrofuran (400 ml), and the mixture was stirred at room temperature for 6 hours. Then monoethyl malonate magnesium salt (Mg(OCOCH2COOC2H5)2)(19.8 g) was added, and the mixture was stirred at room temperature for 14 hours. The reaction mixture was concentrated under reduced pressure, and the residue was dissolved in chloroform. The chloroform layer was washed with water and dried over magnesium sulfate, and the solvent was evaporated under reduced pressure. The residue was subjected to column chromatography on silica gel. The fractions eluted with chloroform-methanol (5:1, v/v) gave ethyl 6-(N,N-diethylamino)-3-oxohexanoate (7.6 g, 53%). the mixture was stirred at room temperature for 14 hours The reaction mixture was concentrated under reduced pressure the residue was dissolved in chloroform The chloroform layer was washed with water dried over magnesium sulfate the solvent was evaporated under reduced pressure The fractions eluted with chloroform-methanol (5:1
Source ID: ord-1aa01b3a962a409bae844d5545a2ce98Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of benzyl 4-(N,N-diethylamino)butanoate (33.8 g), palladium-carbon (5%, 7 g) and ethanol (500 ml) was subjected to catalytic hydrogenation at room temperature and 1 atm. The catalyst was filtered off, and the filtrate was concentrated under reduced pressure to give 4-(N,N-diethylamino)butanoic acid (16.2 g, 75%). mp. 45°-47° C. was subjected to catalytic hydrogenation at room temperature The catalyst was filtered off the filtrate was concentrated under reduced pressure
Source ID: ord-202be315fad54cc1b36e00ad8c2182b2PubChem References
These sources are listed in the compound's public database record.
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