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Chemical Structure| 4897-84-1 Chemical Structure| 4897-84-1
Chemical Structure| 4897-84-1

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Br-C3-methyl ester is an ester of a brominated fatty acid, commonly used in chemical synthesis and as a precursor in functional group modifications.

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Product Details of Br-C3-methyl ester

CAS No. :4897-84-1
Formula : C5H9BrO2
M.W : 181.03
SMILES Code : O=C(OC)CCCBr
MDL No. :MFCD00041482
InChI Key :QAWFLJGZSZIZHO-UHFFFAOYSA-N
Pubchem ID :107604

Safety of Br-C3-methyl ester

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H227-H315-H319-H335
Precautionary Statements:P210-P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P370+P378-P362+P364-P403+P233-P501

Application In Synthesis of Br-C3-methyl ester

* 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 [ 4897-84-1 ]

[ 4897-84-1 ] Synthesis Path-Downstream   1~4

  • 2
  • [ 4897-84-1 ]
  • [ 26621-44-3 ]
  • [ 7119-95-1 ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; In N,N-dimethyl-formamide; Step 1c Preparation of the Nitropyrazole 4. 3-Nitropyrazole (1.13 g, 10 mmol) in dry DMF (10 ml), under argon, was treated with anhydrous K2CO3 (2.7 g, 15 mmol) and then, dropwise, with methyl-4-bromobutyrate (1.82 g, 10.05 mmol) at RT. After stirring overnight the DMF was removed and the residue partitioned between H2O and EtOAc. The combined organic extracts were washed (H2O and brine), dried (Na2SO4), filtered and evaporated to give a mixture of 4 and 6 (2.05 g) as a pale yellow oil. MS (ES+) m/z 214 (MH+).
  • 3
  • [ 4897-84-1 ]
  • [ 71176-54-0 ]
  • [ 1239587-45-1 ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; In acetonitrile; at 86℃; for 18h; Compound 28:[228] To a solution of 5-nitro-m-xylene-alpha,alpha'-diol 25 (564 mg, 3.08 mmol) in methanol (35 mL) was added Pd/C (10percent, 164 mg, 0.154 mmol). Hydrogen was introduced to replace the air then the mixture was hydrogenated (H2, 5 psi) for 2 hours at room temperature. The solution was filtered through celite and the filtrate was evaporated by rotary evaporation in vacuo to give compound 26, which was dissolved in anhydrous acetonitrile (15 mL) and methyl 4- bromobutyrate (557 mg, 3.08 mmol) and potassium carbonate (426 mg, 3.08 mmol) were added. The mixture was put in a 86 0C oil bath and refluxed for 18 hours. The reaction mixture was removed from the oil bath, cooled to room temperature and diluted with dichloromethane. It was filtered through celite and the solid was washed with dichloromethane/acetonitrile (1 :1). The filtrate was evaporated under reduced pressure and the residue was purified through silica gel chromatography (Combiflash, dichloromethane/methanol) to give compound 28 (292 mg, y = 37percent) as a white solid. 1H NMR (400 MHz, MeOD): delta 6.62 (s, IH), 6.55 (s, 2H), 4.50 (s, 4H), 3.65 (s, 3H), 3.13 (d, J = 7.2 MHz, 2H), 2.43 (d, J = 7.2 MHz, 2H), 1.89 (p, J = 7.2 MHz, 2H); 13C NMR (400 MHz, MeOD): delta 175.9, 150.5, 143.7, 115.5, 111.7, 65.7, 52.2, 44.3, 32.5, 25.8; MS (m/z): found 276.0 (M + Na)+.
  • 4
  • [ 4897-84-1 ]
  • [ 4877-80-9 ]
  • 2,3,6,7,10,11-hexakis[3-(methoxycarbonyl)propyloxy]triphenylene [ No CAS ]
 

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