No renderable structure data available
CCCNCCC(=O)OCChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | methyl 3-(propylamino)propanoate |
|---|---|
| IUPAC Name | — |
| CAS Number | 5036-62-4 |
| Database ID | 10630640 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
methyl 3-(propylamino)propanoate (CAS 5036-62-4) 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 10630640
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-6af114285bdf44b9aa92104e80fab6deConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-ee95b2dae9be46bb920fa27dd7a986d3Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The starting material is prepared as follows: A mixture of 7.5 g 6-methoxythiochroman-3-one [J. Org. Chem. 34, 1566 (1969)], 5.8 g of methyl 3-(propylamino)-propionate and 0.8 ml of trifluoroacetic acid in 80 ml of toluene is heated under reflux for 22 hours in a Dean Stark apparatus. Additional 0.8 ml portions of trifluoroacetic acid are added after 2, 5, and 16 hours. The solvent is removed, the residue is taken up in ether and the product is extracted with 3N hydrochlorid acid. After neutralization the aqueous layers are extracted with ethyl acetate, the organic layer is dried and the solvent is removed. The product is crystallized from a small volume of methanol to afford 9-methoxy-4-propyl-1,2,3,5-tetrahydro-4H-[1]-benzothiopyrano[3,4-b]pyridin-1-one, m.p. 108°-110°. The starting material is prepared is heated under reflux for 22 hours in a Dean Stark apparatus The solvent is removed the product is extracted with 3N hydrochlorid acid After neutralization the aqueous layers are extracted with ethyl acetate the organic layer is dried the solvent is removed The product is crystallized from a small volume of methanol
Source ID: ord-f3fe596c13e54c37bfeeb77c9a2c4e9fConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 8.9 g of 6-methoxy-2H-[1]-benzopyran-3-one, 7.46 g of methyl 3-(propylamino)-propionate, 0.8 ml of trifluoroacetic acid in 80 ml toluene is refluxed for 7 hours in a Dean Stark apparatus; additional 0.8 ml portions of trifluoroacetic acid are added at 2, 4 and 6 hours. The reaction mixture is cooled and the solvent is removed in vacuo. The residue is crystallized from ether/methanol to afford 9-methoxy-4-propyl-1,2,3,5-tetrahydro-4H-[1]-benzopyrano[3,4-b]pyridin-1-one, m.p. 97°-100°. is refluxed for 7 hours in a Dean Stark apparatus The reaction mixture is cooled the solvent is removed in vacuo The residue is crystallized from ether/methanol
Source ID: ord-6a2e0d0a6c714184a3b013d18cb319d6Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: The starting material is prepared as follows: A mixture of 7.5 g 6-methoxythiochroman-3-one [J. Org. Chem. 34, 1566 (1969)], 5.8 g of methyl 3-(propylamino)-propionate and 0.8 ml of trifluoroacetic acid in 80 ml of toluene is heated under reflux for 22 hours in a Dean Stark apparatus. Additional 0.8 ml portions of trifluoroacetic acid are added after 2, 5, and 16 hours. The solvent is removed, the residue is taken up in ether and the product is extracted with 3N hydrochlorid acid. After neutralization the aqueous layers are extracted with ethyl acetate, the organic layer is dried and the solvent is removed. The product is crystallized from a small volume of methanol to afford 9-methoxy-4-propyl-1,2,3,5-tetrahydro-4H-[1]-benzothiopyrano[3,4-b]pyridin-1-one, m.p. 108°-110°. The starting material is prepared is heated under reflux for 22 hours in a Dean Stark apparatus The solvent is removed the product is extracted with 3N hydrochlorid acid After neutralization the aqueous layers are extracted with ethyl acetate the organic layer is dried the solvent is removed The product is crystallized from a small volume of methanol
Source ID: ord-f3fe596c13e54c37bfeeb77c9a2c4e9fConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 8.9 g of 6-methoxy-2H-[1]-benzopyran-3-one, 7.46 g of methyl 3-(propylamino)-propionate, 0.8 ml of trifluoroacetic acid in 80 ml toluene is refluxed for 7 hours in a Dean Stark apparatus; additional 0.8 ml portions of trifluoroacetic acid are added at 2, 4 and 6 hours. The reaction mixture is cooled and the solvent is removed in vacuo. The residue is crystallized from ether/methanol to afford 9-methoxy-4-propyl-1,2,3,5-tetrahydro-4H-[1]-benzopyrano[3,4-b]pyridin-1-one, m.p. 97°-100°. is refluxed for 7 hours in a Dean Stark apparatus The reaction mixture is cooled the solvent is removed in vacuo The residue is crystallized from ether/methanol
Source ID: ord-6a2e0d0a6c714184a3b013d18cb319d6Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 8.9 g of 6-methoxy-2H-[1]-benzopyran-3-one, 7.46 g of methyl 3-(propylamino)-propionate, 0.8 ml of trifluoroacetic acid in 80 ml toluene is refluxed for 7 hours in a Dean Stark apparatus; additional 0.8 ml portions of trifluoroacetic acid are added at 2, 4 and 6 hours. The reaction mixture is cooled and the solvent is removed in vacuo. The residue is crystallized from ether/methanol to afford 9-methoxy-4-propyl-1,2,3,5-tetrahydro-4H-[1]-benzopyrano[3,4-b]pyridin-1-one, m.p. 97°-100°. is refluxed for 7 hours in a Dean Stark apparatus The reaction mixture is cooled the solvent is removed in vacuo The residue is crystallized from ether/methanol
Source ID: ord-6a2e0d0a6c714184a3b013d18cb319d6Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-6af114285bdf44b9aa92104e80fab6deConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-ee95b2dae9be46bb920fa27dd7a986d3Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 7.5 g 6-methoxythiochroman-3-one [J. Org. Chem. 34, 1566 (1969)], 5.8 g of methyl 3-(propylamino)-propionate and 0.8 ml of trifluoroacetic acid in 80 ml of toluene is heated under reflux for 22 hours in a Dean Stark apparatus. Additional 0.8 ml portions of trifluoroacetic acid are added after 2, 5, and 16 hours. The solvent is removed, the residue is taken up in ether and the product is extracted with 3N hydrochloric acid. After neutralization the aqueous layers are extracted with ethyl acetate, the organic layer is dried and the solvent is removed. The product crystallized from a small volume of methanol to afford 9-methoxy-4-propyl-1,2,3,5-tetrahydro-4H-[1]-benzothiopyrano[3,4-b]pyridine-1-one, melting point 108°-110°. is heated under reflux for 22 hours in a Dean Stark apparatus The solvent is removed the product is extracted with 3N hydrochloric acid After neutralization the aqueous layers are extracted with ethyl acetate the organic layer is dried the solvent is removed The product crystallized from a small volume of methanol
Source ID: ord-741f096600c74572952e9771d012876fConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 7.5 g 6-methoxythiochroman-3-one [J. Org. Chem. 34, 1566 (1969)], 5.8 g of methyl 3-(propylamino)-propionate and 0.8 ml of trifluoroacetic acid in 80 ml of toluene is heated under reflux for 22 hours in a Dean Stark apparatus. Additional 0.8 ml portions of trifluoroacetic acid are added after 2, 5, and 16 hours. The solvent is removed, the residue is taken up in ether and the product is extracted with 3N hydrochloric acid. After neutralization the aqueous layers are extracted with ethyl acetate, the organic layer is dried and the solvent is removed. The product crystallized from a small volume of methanol to afford 9-methoxy-4-propyl-1,2,3,5-tetrahydro-4H-[1]-benzothiopyrano[3,4-b]pyridine-1-one, melting point 108°-110°. is heated under reflux for 22 hours in a Dean Stark apparatus The solvent is removed the product is extracted with 3N hydrochloric acid After neutralization the aqueous layers are extracted with ethyl acetate the organic layer is dried the solvent is removed The product crystallized from a small volume of methanol
Source ID: ord-741f096600c74572952e9771d012876fConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 8.9 g of 6-methoxy-2H-[1]-benzopyran-3-one, 7.46 g of methyl 3-(propylamino)-propionate, 0.8 ml of trifluoroacetic acid in 80 ml to toluene is refluxed for 7 hours in a Dean Stark apparatus; additional 0.8 ml portions of trifluoroacetic acid are added at 2,4 and 6 hours. The reaction mixture is cooled and the solvent is removed in vacuo. The residue is crystallized from ether/methanol to afford 9-methoxy-4-propyl-1,2,3,5-tetrahydro-4H-[1]-benzopyrano[3,4-b]pyridin-1-one, melting point 97°-100°. is refluxed for 7 hours in a Dean Stark apparatus The reaction mixture is cooled the solvent is removed in vacuo The residue is crystallized from ether/methanol
Source ID: ord-489774a0133b480794665818b1962a48PubChem References
These sources are listed in the compound's public database record.
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