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CC(C)NCC(CO)OChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | 3-(propan-2-ylamino)propane-1,2-diol |
|---|---|
| IUPAC Name | — |
| CAS Number | 6452-57-9 |
| Database ID | 110857 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
3-(propan-2-ylamino)propane-1,2-diol (CAS 6452-57-9) 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 110857
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-d5f566d330d84271a7c01738feeaad85Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 37 g (0.5 mole) of glycidol and 35.4 g (0.6 mole) of isopropylamine was stirred at 25° overnight. Excess isopropylamine was evaporated in vacuo and the mixture was distilled to give 53 g of product: b.p. 80° C./0.1 mm Hg. The NMR and IR spectra were consistent with the assigned structure and the elemental analysis was consistent with the empirical formula C6H15O2N. Excess isopropylamine was evaporated in vacuo the mixture was distilled
Source ID: ord-1e4314bb843c4dc289ec29540a841a7dConditions: temp:25.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 37 g (0.5 mole) of glycidol and 35.4 g (0.6 mole) of isopropylamine was stirred at 25° C. overnight. Excess isopropylamine was evaporated in vacuo and the mixture was distilled to give 53 g of product: b.p. 80° C./0.1 mm Hg. The NMR and IR spectra were consistent with the assigned structure and the elemental analysis was consistent with the empirical formula C6H15O2N. Excess isopropylamine was evaporated in vacuo the mixture was distilled
Source ID: ord-03448eb157d34819a411503f203e57beConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 37 g (0.5 mole) of glycidol and 35.4 g (0.6 mole) of isopropylamine was stirred at 25° overnight. Excess isopropylamine was evaporated in vacuo and the mixture was distilled to give 53 g of product: b.p. 80° C./0.1 mm Hg. The NMR and IR spectra were consistent with the assigned structure and the elemental analysis was consistent with the empirical formula C6H15O2N. Excess isopropylamine was evaporated in vacuo the mixture was distilled
Source ID: ord-1e4314bb843c4dc289ec29540a841a7dConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 6-oxo-5-bromo-4,5,6,7-tetrahydrobenzothiazole (100 parts), 3-isopropylamino-1,2-propanediol (67 parts), p-toluenesulfonic acid monohydrate (99 parts) and toluene (1550 parts) is heated under reflux for 21 hours while drying the refluxing azeotropic mixture according to the method described in Example I. After cooling, the reaction mixture is adjusted to pH 9 by adding aqueous 2.5N-sodium hydroxide and formed organic layer is separated. The organic layer is washed with water, dried over anhydrous sodium sulfate, and concentrated under reduced pressure. The remaining 4'-isopropylaminomethyl-5-bromo-4,5,6,7-tetrahydrobenzothiazole-6-spiro-2'-[1,3]-dioxolane (156 parts) is dissolved in piperidine (1560 parts), and stirred for 49 hours on an oil bath heated at 95° to 100° C. The reaction mixture is concentrated under reduced pressure to leave residue which is mixed with ethyl acetate and water, shaken and fractionated to separate formed organic layer. The organic layer is washed with water, dried over anhydrous sodium sulfate, and concentrated under reduced pressure. Residue (172 parts) is recrystallized from ethanol-hydrochloric acid giving 6-(3-isopropylamino-2-hydroxypropoxy)benzothiazole) (65 parts) in 57% yield. mp. 132°-134° C. (hydrochloride trihydrate). is heated under reflux for 21 hours while drying the refluxing azeotropic mixture After cooling by adding aqueous 2.5N-sodium hydroxide formed organic layer is separated The organic layer is washed with water dried over anhydrous sodium sulfate concentrated under reduced pressure The remaining 4'-isopropylaminomethyl-5-bromo-4,5,6,7-tetrahydrobenzothiazole-6-spiro-2'-[1,3]-dioxolane (156 parts) is dissolved in piperidine (1560 parts) heated at 95° to 100° C The reaction mixture is concentrated under reduced pressure to leave residue which shaken to separate formed organic layer The organic layer is washed with water dried over anhydrous sodium sulfate concentrated under reduced pressure Residue (172 parts) is recrystallized from ethanol-hydrochloric acid
Source ID: ord-ced15b3700b34d49b86f37fa30bdb096Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-d5f566d330d84271a7c01738feeaad85Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 37 g (0.5 mole) of glycidol and 35.4 g (0.6 mole) of isopropylamine was stirred at 25° overnight. Excess isopropylamine was evaporated in vacuo and the mixture was distilled to give 53 g of product: b.p. 80° C./0.1 mm Hg. The NMR and IR spectra were consistent with the assigned structure and the elemental analysis was consistent with the empirical formula C6H15O2N. Excess isopropylamine was evaporated in vacuo the mixture was distilled
Source ID: ord-acec1d0b7a24450e92a9eb42fcab49bbConditions: temp:25.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 37 g (0.5 mole) of glycidol and 35.4 g (0.6 mole) of isopropylamine was stirred at 25° C. overnight. Excess isopropylamine was evaporated in vacuo and the mixture was distilled to give 53 g of product: b.p. 80° C./0.1 mm Hg. The NMR and IR spectra were consistent with the assigned structure and the elemental analysis was consistent with the empirical formula C6H15O2N. Excess isopropylamine was evaporated in vacuo the mixture was distilled
Source ID: ord-081422fc8e254914ac34f667e657142fConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 6-oxo-5-bromo-4,5,6,7-tetrahydrobenzothiazole (100 parts), 3-isopropylamino-1,2-propanediol (67 parts), p-toluenesulfonic acid monohydrate (99 parts) and toluene (1550 parts) is heated under reflux for 21 hours while drying the refluxing azeotropic mixture according to the method described in Example I. After cooling, the reaction mixture is adjusted to pH 9 by adding aqueous 2.5N-sodium hydroxide and formed organic layer is separated. The organic layer is washed with water, dried over anhydrous sodium sulfate, and concentrated under reduced pressure. The remaining 4'-isopropylaminomethyl-5-bromo-4,5,6,7-tetrahydrobenzothiazole-6-spiro-2'-[1,3]-dioxolane (156 parts) is dissolved in piperidine (1560 parts), and stirred for 49 hours on an oil bath heated at 95° to 100° C. The reaction mixture is concentrated under reduced pressure to leave residue which is mixed with ethyl acetate and water, shaken and fractionated to separate formed organic layer. The organic layer is washed with water, dried over anhydrous sodium sulfate, and concentrated under reduced pressure. Residue (172 parts) is recrystallized from ethanol-hydrochloric acid giving 6-(3-isopropylamino-2-hydroxypropoxy)benzothiazole (65 parts) in 57% yield. mp. 132°-134° C. (hydrochloride trihydrate). is heated under reflux for 21 hours while drying the refluxing azeotropic mixture After cooling by adding aqueous 2.5N-sodium hydroxide formed organic layer is separated The organic layer is washed with water dried over anhydrous sodium sulfate concentrated under reduced pressure The remaining 4'-isopropylaminomethyl-5-bromo-4,5,6,7-tetrahydrobenzothiazole-6-spiro-2'-[1,3]-dioxolane (156 parts) is dissolved in piperidine (1560 parts) heated at 95° to 100° C The reaction mixture is concentrated under reduced pressure to leave residue which shaken to separate formed organic layer The organic layer is washed with water dried over anhydrous sodium sulfate concentrated under reduced pressure Residue (172 parts) is recrystallized from ethanol-hydrochloric acid
Source ID: ord-0d0ca01e43324118909a0eae512e2bc3Conditions: temp:25.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 37 g (0.5 mole) of glycidol and 35.4 g (0.6 mole) of isopropylamine was stirred at 25° C. overnight. Excess isopropylamine was evaporated in vacuo and the mixture was distilled to give 53 g of product: b.p. 80° C./0.1 mm Hg. The NMR and IR spectra were consistent with the assigned structure and the elemental analysis was consistent with the empirical formula C6H15O2N. Excess isopropylamine was evaporated in vacuo the mixture was distilled
Source ID: ord-03448eb157d34819a411503f203e57beConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A mixture of 37 g (0.5 mole) of glycidol and 35.4 g (0.6 mole) of isopropylamine was stirred at 25° overnight. Excess isopropylamine was evaporated in vacuo and the mixture was distilled to give 53 g of product: b.p. 80° C./0.1 mm Hg. The NMR and IR spectra were consistent with the assigned structure and the elemental analysis was consistent with the empirical formula C6H15O2N. Excess isopropylamine was evaporated in vacuo the mixture was distilled
Source ID: ord-1e4314bb843c4dc289ec29540a841a7dPubChem References
These sources are listed in the compound's public database record.
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