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[ CAS No. 1027513-46-7 ] {[proInfo.proName]}

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Product Details of [ 1027513-46-7 ]

CAS No. :1027513-46-7 MDL No. :MFCD09800728
Formula : C8H6FIO2 Boiling Point : -
Linear Structure Formula :- InChI Key :QLOABIRBPCIWKQ-UHFFFAOYSA-N
M.W : 280.03 Pubchem ID :39058271
Synonyms :

Safety of [ 1027513-46-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1027513-46-7 ]

* 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 [ 1027513-46-7 ]

[ 1027513-46-7 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 1027513-46-7 ]
  • [ 87199-18-6 ]
  • [ 1261944-01-7 ]
YieldReaction ConditionsOperation in experiment
86% With palladium diacetate; potassium carbonate In 2-methoxy-ethanol; water at 20℃; for 15h; 1 General procedure for Suzuki cross coupling reaction (procedure A, 8, 13a-c, 17, 20a, b, 27a-f) General procedure: To a solution of the corresponding boronic acid (1.2mmol) in EGME/H2O (3:1, 0.25M) were added Pd(OAc)2 (0.05mmol) and K2CO3 (1.2mmol), followed by the addition of the corresponding phenyl iodide (1.0mmol). The dark reaction mixture was stirred at rt for 15h, then diluted with EtOAc (40mL) and filtered through a pad of Celite. The resulting filtrate was washed with H2O (20mL) and a 1M solution of Na2SO3 (20mL). After separation, the organic phase was dried over Na2SO4 and concentrated under reduced pressure. The residues were purified by column chromatography (Cy/EtOAc).
  • 2
  • [ 825-98-9 ]
  • [ 74-88-4 ]
  • methyl 3-fluoro-4-iodobenzene carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
25.0 g To a solution of <strong>[825-98-9]3-fluoro-4-iodobenzoic acid</strong> (30 g, 0. ii mol) in DMF (iOO mL) was addedK2C03 (23.34g, 0.i6 mol) and the reaction mass was stirred at ft for i h. Then added CH3I(24.0 g, 0.i6 mol) and continued stirring at ft for 4-5 h. The reaction mixture was quenched with water and filtered off precipitate to afford 25.0 g of title compound. ?H NMR (300 MHz, DMSO-d6): 8.03-7.99 (t, J = 7.8Hz, iH), 7.67-7.64(d, J = 8.7Hz, iH), 7.54-7.5i(d, J = 8.i Hz, iH),3.05 (s, 3H).
  • 3
  • [ 216393-64-5 ]
  • [ 1027513-46-7 ]
  • [ 2306121-26-4 ]
YieldReaction ConditionsOperation in experiment
54% With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate In 1,4-dioxane at 100℃; for 12h; 33.1 Step 1: 4'-Bromo-2,2'-difluoro-[1,1'-biphenyl]-4-carboxylic acid methyl ester Add 4-bromo-2-fluorobenzeneboronic acid (0.50 g, 2.28 mmol) to a 100 mL single-mouth bottle.Methyl 3-fluoro-4-iodobenzoate (0.57 g, 2.06 mmol),Potassium carbonate (0.95 g, 6.87 mmol),[1,1'-bis(diphenylphosphino)ferrocene]palladium dichloride (84 mg, 0.11 mmol) and1,4-dioxane (20 mL). The reaction was stirred at 100 ° C for 12 h.Then concentrated under reduced pressure, and the residue obtained was applied to silica gel column chromatography(PE/EA(V/V)=100/1) purificationThe title compound was obtained as a colorless oil (0.40 g, 54%).
54% With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate In 1,4-dioxane at 100℃; for 12h; 33.1 Step 1: methyl 4’-bromo-2,2’-dffluoro- [1,1 ‘-diphenyll-4-carboxylate To a 100 mL single neck flask were added 4-bromo-2-fluorobenzene boronic acid (0.50 g, 2.28 mmol), methyl 3-fluoro-4-iodobenzene carboxylate (0.57 g, 2.06 mmol), potassium carbonate (0.95 g 6.87 mmol), [1,1’ -bis(diphenylphosphino)ferrocene]dichloropalladium (84 mg, 0.11 mmol) and 1,4-dioxane (20 mL). The reaction mixture was stirred at 100 °C for 12 hours and concentrated in vacuo. The residue was purified by silica gel column chromatography (PE/EtOAc (v/v) = 100/1) to give the title compound as colorless (0.40 g, 54%). ‘H NMR (400 1VIH4 DMSO-d6) 7.91 (dd, J= 8.0, 1.5 Hz; 1H), 7.84 (dd, J= 10.4, 1.3 Hz; 1H), 7.76 (dd, J9.8, 1.7 H4 1H), 7.66 (t, J= 7.7 H4 1H), 7.60 (dd, J= 8.3, 1.7 Hz; 1H), 7.50 (t, J= 8.1 H4 1H),3.91 (s, 3H).
  • 4
  • [ 1027513-46-7 ]
  • [ 2253658-44-3 ]
  • [ 2253658-48-7 ]
YieldReaction ConditionsOperation in experiment
With copper(l) iodide; trans-N,N-dimethyl-cyclohexane-1,2-diamine; caesium carbonate In toluene at 100℃; for 14h; 34 Example 34: Compound 34 To a solution of 31-2 (200 mg, 465.88 µmol) and 34-1 (260 mg, 931.76 µmol) in toluene (5 mL), cuprous iodide (89 mg, 465.88 µmol), cesium carbonate (304 mg, 931.76 µmol) and trans-N,N-dimethylcyclohexyl-1,2-diamine (183 mg, 465.88 µmol) were added. The reaction mixture was stirred at 100 °C for 14 hours. After the reaction was completed, the mixture was filtered and concentrated, and water (30 ml) was added to the concentrated solution. The mixture was extracted with ethyl acetate (30 mL) for 3 times. The combined organic layer was washed with saturated brine (30 mL) and water (30 mL) in order, and then dried over anhydrous sodium sulfate, filtered and concentrated to give a crude product. The crude product was separated by preparative thin layer chromatography (petroleum ether: ethyl acetate=2 :1) to give the target compound 34-2. MS m/z: 581.1 [M+H]+.
  • 5
  • [ 1027513-46-7 ]
  • [ 57260-71-6 ]
  • [ 570408-10-5 ]
YieldReaction ConditionsOperation in experiment
80.1 % With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; XPhos In toluene at 90℃; 1.1 Step 1: Preparation of Compound 3 Under nitrogen protection, compound 1 (224.00 mg, 1.20 mmol), compound 2 (280.00 mg, 999.88 μmol), Cs2CO3 (978.00 mg, 999.88 μmol), toluene (2.0 mL), Xphos (95.00 mg , 999.88μmol) and Pd2(dba)3 (91.60mg, 999.88μmol). Seal the reaction system, stir the reaction at 90°C for 2 hours, and then quench the reaction (monitored by LC-MS). After the reaction solution was distilled under reduced pressure, a saturated NaCl solution (20.0 mL) was added to the system, and then extracted with ethyl acetate (3×20.0 mL), the organic phases were combined, and the organic phase was dried with anhydrous sodium sulfate, and the solvent was evaporated to dryness , separated by column chromatography, the volume ratio of the eluent used is petroleum ether/ethyl acetate=1:1001:5, and the compound 3 (271.00 mg, 800.89 μmol, yield 80.10%) was obtained after concentrating under reduced pressure to remove the solvent .
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