No renderable structure data available
CC(C)OC(=O)C1=CC(=CC=C1)NChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | propan-2-yl 3-aminobenzoate |
|---|---|
| IUPAC Name | — |
| CAS Number | 35005-25-5 |
| Database ID | 236743 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
propan-2-yl 3-aminobenzoate (CAS 35005-25-5) 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 236743
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
7 reactions · 7 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-871712ba7aa341548fa5a1834b51a263Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Thionyl chloride (3.5 g, 0.029 mole) was added to a stirred mixture of 5,6-dihydro-2-methyl-1,4-oxathiin-3-carboxylic acid (4.7 g, 0.029 mole) and methylene chloride (100 ml). The mixture was warmed to 30°-35° C. for 4 hours, then evaporated under reduced pressure. The residue, crude 5,6-dihydro-2-methyl-1,4-oxathiin-3-carbonyl chloride, was dissolved in methylene chloride (100 ml), and the ice-chilled solution treated dropwise with a solution of 1-methylethyl 3-aminobenzoate (5,.2 g, 0.029 mole) and triethylamine (2.9 g, 0.029 mole) in methylene chloride (50 ml). The reaction mixture was stirred overnight at room temperature and then worked up by washing in sequence with water, dilute hydrochloric acid, water, 2% sodium hydroxide and water. Evaporation of the solvent left an oil, which solidified. After recrystallization from ethanol (30 ml) the product (4.0 g, 42% yield) melted at 92°-94° C. Analysis: Calc.: C 59.79, H 5.96, N 4.36, Found: C 59.46, H 6.21, N 4.51 The mixture was warmed to 30°-35° C. for 4 hours evaporated under reduced pressure The residue, crude 5,6-dihydro-2-methyl-1,4-oxathiin-3-carbonyl chloride, was dissolved in methylene chloride (100 ml) the ice-chilled solution by washing in sequence with water, dilute hydrochloric acid, water, 2% sodium hydroxide and water Evaporation of the solvent left an oil, which
Source ID: ord-5ea1d1f5095d41dea5f98b013b7502e1Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Thionyl chloride (3.5 g, 0.029 mole) was added to a stirred mixture of 5,6-dihydro-2-methyl-1,4-oxathiin-3-carboxylic acid (4.7 g, 0.029 mole) and methylene chloride (100 ml). The mixture was warmed to 30°-35° C. for 4 hours, then evaporated under reduced pressure. The residue, crude 5,6-dihydro-2-methyl-1,4-oxathiin-3-carbonyl chloride, was dissolved in methylene chloride (100 ml), and the ice-chilled solution treated dropwise with a solution of 1-methylethyl 3-aminobenzoate (5,.2 g, 0.029 mole) and triethylamine (2.9 g, 0.029 mole) in methylene chloride (50 ml). The reaction mixture was stirred overnight at room temperature and then worked up by washing in sequence with water, dilute hydrochloric acid, water, 2% sodium hydroxide and water. Evaporation of the solvent left an oil, which solidified. After recrystallization from ethanol (30 ml) the product (4.0 g, 42% yield) melted at 92°-94° C. Analysis: Calc.: C 59.79, H 5.96, N 4.36, Found: C 59.46, H 6.21, N 4.51 The mixture was warmed to 30°-35° C. for 4 hours evaporated under reduced pressure The residue, crude 5,6-dihydro-2-methyl-1,4-oxathiin-3-carbonyl chloride, was dissolved in methylene chloride (100 ml) the ice-chilled solution by washing in sequence with water, dilute hydrochloric acid, water, 2% sodium hydroxide and water Evaporation of the solvent left an oil, which
Source ID: ord-5ea1d1f5095d41dea5f98b013b7502e1Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Thionyl chloride (3.5 g, 0.029 mole) was added to a stirred mixture of 5,6-dihydro-2-methyl-1,4-oxathiin-3-carboxylic acid (4.7 g, 0.029 mole) and methylene chloride (100 ml). The mixture was warmed to 30°-35° C. for 4 hours, then evaporated under reduced pressure. The residue, crude 5,6-dihydro-2-methyl-1,4-oxathiin-3-carbonyl chloride, was dissolved in methylene chloride (100 ml), and the ice-chilled solution treated dropwise with a solution of 1-methylethyl 3-aminobenzoate (5,.2 g, 0.029 mole) and triethylamine (2.9 g, 0.029 mole) in methylene chloride (50 ml). The reaction mixture was stirred overnight at room temperature and then worked up by washing in sequence with water, dilute hydrochloric acid, water, 2% sodium hydroxide and water. Evaporation of the solvent left an oil, which solidified. After recrystallization from ethanol (30 ml) the product (4.0 g, 42% yield) melted at 92°-94° C. Analysis: Calc.: C 59.79, H 5.96, N 4.36, Found: C 59.46, H 6.21, N 4.51 The mixture was warmed to 30°-35° C. for 4 hours evaporated under reduced pressure The residue, crude 5,6-dihydro-2-methyl-1,4-oxathiin-3-carbonyl chloride, was dissolved in methylene chloride (100 ml) the ice-chilled solution by washing in sequence with water, dilute hydrochloric acid, water, 2% sodium hydroxide and water Evaporation of the solvent left an oil, which
Source ID: ord-5ea1d1f5095d41dea5f98b013b7502e1Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-871712ba7aa341548fa5a1834b51a263Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Thionyl chloride (3.5 g, 0.029 mole) was added to a stirred mixture of 5,6-dihydro-2-methyl-1,4-oxathiin-3-carboxylic acid (4.7 g, 0.029 mole) and methylene chloride (100 ml). The mixture was warmed to 30°-35° C. for 4 hours, then evaporated under reduced pressure. The residue, crude 5,6-dihydro-2-methyl-1,4-oxathiin-3-carbonyl chloride, was dissolved in methylene chloride (100 ml), and the ice-chilled solution treated dropwise with a solution of 1-methylethyl 3-aminobenzoate (5,.2 g, 0.029 mole) and triethylamine (2.9 g, 0.029 mole) in methylene chloride (50 ml). The reaction mixture was stirred overnight at room temperature and then worked up by washing in sequence with water, dilute hydrochloric acid, water, 2% sodium hydroxide and water. Evaporation of the solvent left an oil, which solidified. After recrystallization from ethanol (30 ml) the product (4.0 g, 42% yield) melted at 92°-94° C. The mixture was warmed to 30°-35° C. for 4 hours evaporated under reduced pressure The residue, crude 5,6-dihydro-2-methyl-1,4-oxathiin-3-carbonyl chloride, was dissolved in methylene chloride (100 ml) the ice-chilled solution by washing in sequence with water, dilute hydrochloric acid, water, 2% sodium hydroxide and water Evaporation of the solvent left an oil, which
Source ID: ord-90e45774744b44b68e872e5d0e88e619Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Thionyl chloride (3.5 g, 0.029 mole) was added to a stirred mixture of 5,6-dihydro-2-methyl-1,4-oxathiin-3-carboxylic acid (4.7 g, 0.029 mole) and methylene chloride (100 ml). The mixture was warmed to 30°-35° C. for 4 hours, then evaporated under reduced pressure. The residue, crude 5,6-dihydro-2-methyl-1,4-oxathiin-3-carbonyl chloride, was dissolved in methylene chloride (100 ml), and the ice-chilled solution treated dropwise with a solution of 1-methylethyl 3-aminobenzoate (5,.2 g, 0.029 mole) and triethylamine (2.9 g, 0.029 mole) in methylene chloride (50 ml). The reaction mixture was stirred overnight at room temperature and then worked up by washing in sequence with water, dilute hydrochloric acid, water, 2% sodium hydroxide and water. Evaporation of the solvent left an oil, which solidified. After recrystallization from ethanol (30 ml) the product (4.0 g, 42% yield) melted at 92°-94° C. Analysis: Calc.: C 59.79, H 5.96, N 4.36, Found: C 59.46, H 6.21, N 4.51 The mixture was warmed to 30°-35° C. for 4 hours evaporated under reduced pressure The residue, crude 5,6-dihydro-2-methyl-1,4-oxathiin-3-carbonyl chloride, was dissolved in methylene chloride (100 ml) the ice-chilled solution by washing in sequence with water, dilute hydrochloric acid, water, 2% sodium hydroxide and water Evaporation of the solvent left an oil, which
Source ID: ord-5ea1d1f5095d41dea5f98b013b7502e1PubChem References
These sources are listed in the compound's public database record.
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