No renderable structure data available
C1=CC(=CC=C1C(CC(=O)N)N)ClChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 3-amino-3-(4-chlorophenyl)propanamide |
|---|---|
| IUPAC Name | — |
| CAS Number | 771527-89-0 |
| Database ID | 43147960 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
3-amino-3-(4-chlorophenyl)propanamide (CAS 771527-89-0) 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 43147960
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
11 reactions · 11 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-35d8155bd5c14ef38ce28d4494dd0fe1Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-377f81a7adbd4f13ba0692b603b6177bConditions: temp:20.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: O-(7-Azabenzotriazol-1-yl)-n,n,n′,n′-tetramethyluronium hexafluoro-phosphate (129 mg, 0.34 mmol) was added in one portion to 4-(tert-butoxycarbonylamino)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid (Intermediate 1) (82 mg, 0.23 mmol) and N,N-diisopropylethylamine (0.112 mL, 0.68 mmol) in DMF (4 mL) at 20° C. under nitrogen. The resulting solution was stirred at 20° C. for 5 minutes. 3-amino-3-(4-chlorophenyl)propanamide (Intermediate 107) (45 mg, 0.23 mmol) was then added to the reaction and stirred for 3 hours. The reaction mixture was concentrated and diluted with EtOAc (20 mL) and washed with water (20 mL). The organic layer was dried over MgSO4, filtered and evaporated to afford tert-butyl 4-(3-amino-1-(4-chlorophenyl)-3-oxopropylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate (99 mg, 100%). stirred for 3 hours The reaction mixture was concentrated diluted with EtOAc (20 mL) washed with water (20 mL) The organic layer was dried over MgSO4 filtered evaporated
Source ID: ord-d538f85e2a6345368e3442df1ac718daConditions: temp:20.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: HCl (4M) in 1,4 dioxane (1.674 mL, 6.69 mmol) was added to tert-butyl 3-amino-1-(4-chlorophenyl)-3-oxopropylcarbamate (Intermediate 106) (200 mg, 0.67 mmol) in DCM (20 mL) at 20° C. The resulting solution was stirred at 20° C. for 4 hours. The reaction mixture was evaporated and was purified by ion exchange chromatography, using an SCX column. The desired product was eluted from the column using 7M NH3/MeOH and pure fractions were evaporated to dryness to afford 3-amino-3-(4-chlorophenyl)propanamide (46.0 mg, 34.6%) as a white solid. The reaction mixture was evaporated was purified by ion exchange chromatography The desired product was eluted from the column were evaporated to dryness
Source ID: ord-eafdd62f27c64ee8bdb943e39b5987c8Conditions: temp:20.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: O-(7-Azabenzotriazol-1-yl)-n,n,n′,n′-tetramethyluronium hexafluoro-phosphate (129 mg, 0.34 mmol) was added in one portion to 4-(tert-butoxycarbonylamino)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid (Intermediate 1) (82 mg, 0.23 mmol) and N,N-diisopropylethylamine (0.112 mL, 0.68 mmol) in DMF (4 mL) at 20° C. under nitrogen. The resulting solution was stirred at 20° C. for 5 minutes. 3-amino-3-(4-chlorophenyl)propanamide (Intermediate 107) (45 mg, 0.23 mmol) was then added to the reaction and stirred for 3 hours. The reaction mixture was concentrated and diluted with EtOAc (20 mL) and washed with water (20 mL). The organic layer was dried over MgSO4, filtered and evaporated to afford tert-butyl 4-(3-amino-1-(4-chlorophenyl)-3-oxopropylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate (99 mg, 100%). stirred for 3 hours The reaction mixture was concentrated diluted with EtOAc (20 mL) washed with water (20 mL) The organic layer was dried over MgSO4 filtered evaporated
Source ID: ord-d538f85e2a6345368e3442df1ac718daConditions: temp:20.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: HCl (4M) in 1,4 dioxane (1.674 mL, 6.69 mmol) was added to tert-butyl 3-amino-1-(4-chlorophenyl)-3-oxopropylcarbamate (Intermediate 106) (200 mg, 0.67 mmol) in DCM (20 mL) at 20° C. The resulting solution was stirred at 20° C. for 4 hours. The reaction mixture was evaporated and was purified by ion exchange chromatography, using an SCX column. The desired product was eluted from the column using 7M NH3/MeOH and pure fractions were evaporated to dryness to afford 3-amino-3-(4-chlorophenyl)propanamide (46.0 mg, 34.6%) as a white solid. The reaction mixture was evaporated was purified by ion exchange chromatography The desired product was eluted from the column were evaporated to dryness
Source ID: ord-eafdd62f27c64ee8bdb943e39b5987c8Conditions: temp:20.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: HCl (4M) in 1,4 dioxane (1.674 mL, 6.69 mmol) was added to tert-butyl 3-amino-1-(4-chlorophenyl)-3-oxopropylcarbamate (Intermediate 106) (200 mg, 0.67 mmol) in DCM (20 mL) at 20° C. The resulting solution was stirred at 20° C. for 4 hours. The reaction mixture was evaporated and was purified by ion exchange chromatography, using an SCX column. The desired product was eluted from the column using 7M NH3/MeOH and pure fractions were evaporated to dryness to afford 3-amino-3-(4-chlorophenyl)propanamide (46.0 mg, 34.6%) as a white solid. The reaction mixture was evaporated was purified by ion exchange chromatography The desired product was eluted from the column were evaporated to dryness
Source ID: ord-eafdd62f27c64ee8bdb943e39b5987c8Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-35d8155bd5c14ef38ce28d4494dd0fe1Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-377f81a7adbd4f13ba0692b603b6177bConditions: temp:20.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: O-(7-Azabenzotriazol-1-yl)-n,n,n′,n′-tetramethyluronium hexafluoro-phosphate (129 mg, 0.34 mmol) was added in one portion to 4-(tert-butoxycarbonylamino)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid (Intermediate 1) (82 mg, 0.23 mmol) and N,N-diisopropylethylamine (0.112 mL, 0.68 mmol) in DMF (4 mL) at 20° C. under nitrogen. The resulting solution was stirred at 20° C. for 5 minutes. 3-amino-3-(4-chlorophenyl)propanamide (Intermediate 107) (45 mg, 0.23 mmol) was then added to the reaction and stirred for 3 hours. The reaction mixture was concentrated and diluted with EtOAc (20 mL) and washed with water (20 mL). The organic layer was dried over MgSO4, filtered and evaporated to afford tert-butyl 4-(3-amino-1-(4-chlorophenyl)-3-oxopropylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate (99 mg, 100%). stirred for 3 hours The reaction mixture was concentrated diluted with EtOAc (20 mL) washed with water (20 mL) The organic layer was dried over MgSO4 filtered evaporated
Source ID: ord-d538f85e2a6345368e3442df1ac718daConditions: temp:20.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: HCl (4M) in 1,4 dioxane (1.674 mL, 6.69 mmol) was added to tert-butyl 3-amino-1-(4-chlorophenyl)-3-oxopropylcarbamate (Intermediate 106) (200 mg, 0.67 mmol) in DCM (20 mL) at 20° C. The resulting solution was stirred at 20° C. for 4 hours. The reaction mixture was evaporated and was purified by ion exchange chromatography, using an SCX column. The desired product was eluted from the column using 7M NH3/MeOH and pure fractions were evaporated to dryness to afford 3-amino-3-(4-chlorophenyl)propanamide (46.0 mg, 34.6%) as a white solid. The reaction mixture was evaporated was purified by ion exchange chromatography The desired product was eluted from the column were evaporated to dryness
Source ID: ord-eafdd62f27c64ee8bdb943e39b5987c8PubChem References
These sources are listed in the compound's public database record.
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