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Chemistry
Organic Building Blocks
Aryls
Methyl 2,4-diethylbenzoate
Chemistry
Organic Building Blocks
Aryls
Esters Benzene Compounds

[ CAS No. 1147858-85-2 ] {[proInfo.proName]}

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Chemical Structure| 1147858-85-2
Chemical Structure| 1147858-85-2
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COA NMR CNMR HPLC LC-MS

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Product Details of [ 1147858-85-2 ]

CAS No. :1147858-85-2 MDL No. :MFCD28365138
Formula : C12H16O2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 192.25 Pubchem ID :-
Synonyms :

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Application In Synthesis of [ 1147858-85-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 1147858-85-2 ]

[ 1147858-85-2 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 35112-28-8 ]
  • [ 925-90-6 ]
  • [ 7364-20-7 ]
  • [ 1147858-85-2 ]
YieldReaction ConditionsOperation in experiment
32% In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; at -20 - 20℃; for 17.0833h; Methyl 2,4-diethylbenzoate. To a mixture of Fe(acac)3 (0.34 g, 0.96 mmol), methyl 2,4-dichlorobenzoate (4.0 g, 19.6 mmol), and N-methyl-2-pyrrolidinone (8 mL) in THF (100 mL) at -20 C. under nitrogen was added a tetrahydrofuran (THF) solution (1.0 M) of ethylmagnesium bromide (40.0 mL, 40.0 mmol) over a period of 5 min. The resulting mixture was stirred while gradually warming to ambient temperature. Stirring was continued for an additional 17 h. The reaction mixture was partitioned between water and dichloromethane. The organic layer was separated, washed with brine, dried (MgSO4), and pumped to dryness under reduced pressure. The brown residue was purified by column chromatography (SiO2, 20% EtOAc/heptane) to give 1.2 g of the desired product as a clear oil (yield of 32%), along with 1.1 g of methyl 4-ethylbenzoate. 1H NMR (300 MHz, DMSO-d6) delta 1.15 (t, 3H), 1.20 (t, 3H), 2.66 (q, 2H), 2.92 (q, 2H), 3.82 (s, 3H), 7.15 (d, 1H), 7.23 (s, 1H), 7.76 (d, 1H).
Reference： [1]Patent: US2009/118244,2009,A1 .Location in patent: Page/Page column 16
  • 2
  • [ 35112-28-8 ]
  • [ 925-90-6 ]
  • [ 1147858-85-2 ]
YieldReaction ConditionsOperation in experiment
32% iron(III)-acetylacetonate; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; at -20 - 20℃;Inert atmosphere; To a mixture of Fe(acac)3 (0.34 g, 0.96 mmol), methyl 2,4- dichlorobenzoate (4.0 g, 19.6 mmol), and N-methyl-2-pyrrolidinone (8 mL) in THF (100 mL) at -20 C under nitrogen was added a tetrahydrofuran (THF) solution (1.0 M) ofethylmagnesium bromide (40.0 mL, 40.0 mmol) over a period of ~5 min. The resulting mixture was stirred while gradually warming to ambient temperature. Stirring was continued for an additional 17 h. The reaction mixture was partitioned between water anddichloromethane. The organic layer was separated, washed with brine, dried (MgS04), and pumped to dryness under reduced pressure. The brown residue was purified by column chromatography (Si02, 20% EtO Ac/heptane) to give 1.2 g of the desired product as a clear oil (yield of 32%), along with 1.1 g of methyl 4-ethylbenzoate. 1H NMR (300 MHz, DMSO-d6) 51.15 (t, 3 H), 1.20 (t, 3 H), 2.66 (q, 2 H), 2.92 (q, 2 H), 3.82 (s, 3 H), 7.15 (d, 1 H), 7.23 (s, 1 H), 7.76 (d, 1 H).
Reference： [1]Patent: WO2011/35124,2011,A1 .Location in patent: Page/Page column 63

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