Reaction #4166067
Related Literature (1)
openreactiondata ↗doi:10.1039/C8SC04228D
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-57dcde6040d441f1a59e16fb82db41caNo renderable structure data available
CC(C)C(=O)OCChemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | methyl 2-methylpropanoate |
|---|---|
| IUPAC Name | — |
| CAS Number | 547-63-7 |
| Database ID | 11039 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
methyl 2-methylpropanoate (CAS 547-63-7) 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 11039
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-57dcde6040d441f1a59e16fb82db41caConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-5c8051b0a24f48a5aba19a1f8ddd95d3Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-8a83963a8dcf429dbdb533c9657a7d80Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-4261418fe2a540a89753453180ca7a71Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-96fe1222f520484d85b8094af5835d4cConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-8a59e471a18d42fc92b96e0bfdccf744Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-526c39b4ee994a65a89a17cc4564ed7cConditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-c0dae8a365a84c63bf4eda9d0c418d4aConditions: temp:0.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of diisopropylamine (10.1 mL, 71.8 mmol) in anhydrous THF (50 mL) is added n-butyllithum (33.6 mL of an 1.6M in hexane) dropwise at 0° C. After 30 min at 0° C., 4-methyl-2-(methylthio)pyrimidine (5 mL, 35.9 mmol) is added. The resulting mixture is stirred at 0° C. for 30 min. After the addition of methyl isobutyrate (4.3 mL, 37.7 mmol) at 0° C., the reaction mixture is stirred overnight. The reaction mixture is quenched with acetic acid at 0° C., diluted with water, and extracted with ethyl ether. The organic layer is dried over sodium sulfate and concentrated in vacuo. The residue is purified by flash chromatography (SiO2, EtOAc/heptane 7:93 to 40:60) to give 4.3 g of 3-methyl-1-(2-methylsulfanyl-pyrimidin-4-yl)-butan-2-one. the reaction mixture is stirred overnight The reaction mixture is quenched with acetic acid at 0° C. diluted with water extracted with ethyl ether The organic layer is dried over sodium sulfate concentrated in vacuo The residue is purified by flash chromatography (SiO2, EtOAc/heptane 7:93 to 40:60)
Source ID: ord-b2f115a8ca7e4413aaa8aef849006015Conditions: temp:0.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To a solution of diisopropylamine (12.6 mL, 89.9 mmol) in anhydrous THF (50 mL) is added n-butyllithum (42.2 mL of an 1.6M in hexane) dropwise at 0° C. After 30 min at 0° C., 2-fluoro-4-methylpyridine (5 g, 45 mmol) is added. The resulting mixture is stirred at 0° C. for 30 min. After the addition of methyl isobutyrate (5.4 mL, 47.3 mmol) at 0° C., the reaction mixture is stirred overnight. The reaction mixture is quenched with acetic acid at 0° C., diluted with water, and extracted with ethyl ether. The organic layer is dried over sodium sulfate and concentrated in vacuo. The residue is purified by flash chromatography (SiO2, EtOAc/heptane 7:93 to 60:40) to give 4.8 g of 1-(2-fluoro-pyridin-4-yl)-3-methyl-butan-2-one as a light yellowish solid. the reaction mixture is stirred overnight The reaction mixture is quenched with acetic acid at 0° C. diluted with water extracted with ethyl ether The organic layer is dried over sodium sulfate concentrated in vacuo The residue is purified by flash chromatography (SiO2, EtOAc/heptane 7:93 to 60:40)
Source ID: ord-aa8ece56a44740a1b78a93d6815986afConditions: temp:-78.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: To N-isopropylcyclohexylamine (5.96 ml) in THF (30 ml) was added dropwise n-BuLi (1,6-M, 22.7 ml) at -78° C., and the mixture was stirred for 30 min, to which a THF (5 ml) solution of methyl isobutyrate (3.43 g) was added, and stirred at -78° C. for 45 min. Then, a HMPA (6.3 ml) solution of 1-iodo-4-methoxy-butane (9.05 g) was added to the mixture, and stirred at room temperature for 1 h to give methyl 2,2-dimethyl-6-methoxycaproate (4.81 g, 85%) after usual work-up. was added stirred at room temperature for 1 h
Source ID: ord-986cd8f6f1e74c2cb6937dc006fac41cConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of n-butyllithium in hexane (224 ml; 2.2M) was added to tetrahydrofuran (THF, 300 ml) at -60° followed by diiospropylamine (52 g) and this mixture was then warmed to room temperature stirred for 5 min and then cooled to -72° C. Methylisobutyrate (50 g) was then slowly added and the mixture was stirred for 11/2 hr at -70° C. Freshly distilled ethyl vinyl ketone (42 g) in THF (60 ml) was added to the above mixture over 10 min and the mixture was then stirred for a further 1/2 hr at -60° C and subsequently at room temperature for 2 hr. cooled to -72° C the mixture was stirred for 11/2 hr at -70° C the mixture was then stirred for a further 1/2 hr at -60° C and subsequently at room temperature for 2 hr
Source ID: ord-1a6dff17e5e746ee9985b90dbf882d0bPubChem References
These sources are listed in the compound's public database record.
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