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Chemical Structure| 121219-16-7 Chemical Structure| 121219-16-7

Structure of 121219-16-7

Chemical Structure| 121219-16-7

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CAS No.: 121219-16-7

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Product Details of [ 121219-16-7 ]

CAS No. :121219-16-7
Formula : C6H5BF2O2
M.W : 157.91
SMILES Code : C1=CC=C(F)C(=C1B(O)O)F
MDL No. :MFCD01863170
InChI Key :SZYXKFKWFYUOGZ-UHFFFAOYSA-N
Pubchem ID :2734333

Safety of [ 121219-16-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 121219-16-7 ]

* 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 [ 121219-16-7 ]

[ 121219-16-7 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 58573-93-6 ]
  • [ 121219-16-7 ]
  • 4-heptyl-2'',3''-difluoro-1,1':4',1''-terphenyl [ No CAS ]
YieldReaction ConditionsOperation in experiment
83.55% With tetrakis(triphenylphosphine) palladium(0); sodium carbonate; In 1,2-dimethoxyethane; at 120℃; for 2h;Inert atmosphere; Reflux; General procedure: 1,2-dimethoxyethene (150 ml) and sodium carbonate (2 M, 150 ml) were added to diflouroboronic acid (4.79 g, 30.33 mmol, 158 g/mol) and 4-bromo-4′′pentylbiphenyl (7.07 g, 23.33 mmol, 303 g/mol) under dry nitrogen with continuous stirring. Tetrakis (triphenylphosphine) palladium (0) (0.1348 g, 0.11 mmol, 1156 g/mol) was added. The stirred mixture was heated under reflux (ca. 120 C) for 2 h (i.e., until g. L .c/ t. l. c. analysis revealed a complete reaction). Reaction mixture was cooled to room temperature and 100 ml water was added. The product was extracted into 200 ml ether (twice) and the combined ethereal extracts were washed with brine and dried (MgSO4), the most of it filtered off by pressure. The solvent was removed in vacuo. The dry product was purified by addition to a packed chromatography column of silica gel [silica gel, Hexane] to yield white product. Product was re-crystallised through ethanol. It was put in the desiccators overnight. Yield (6.47 g, 82.53%).M.P. 97.5 C (from EtOH). Elemental analysis: (Found: C, 82.40; H, 6.74 . Calc. for C23H22F2: C, 82.11; H, 6.59%);m/z 336 (M+), 292, 279 (100%),165, 151; transitions / C K 95.8 (25.79 J/g) SmA 108.8 (18.98 J/g) I;IR (KBr) υmax/c- 1 2927 (CH), 1473, 1398, 1264, 1216, 1100, 897, 817, 785, 721; δH(400 MHz;CDCl3) 0.80 (3H,t,J 7,CH3CH2), 1.19-.27 (8H, m), 1.57 (2H, quint, J7.7, ArCH2CH2), 2.57 (2H, t, J7.9, ArCH2), 7.02 (1H, ddd, J 6.8, 6.6, 1.5, 20H), 7.16 (1H, ddd, J 6.8, 6.4, 1.6, 19H),7.47 (2H,d,J 8.1), 7.52 (2H, dd, J 8.2, 1.5), 7.59 (2H, d, J8.2),;(δF(376; CDCl3)) - 143.30 (1F, dd, JF,F20.81, JF,H6.9), - 143.88 (1F, dd, JF,F18.5, JF,H6.9);δC(100.5;CDCl3) 14.10, 22.68, 29.20, 29.34, 31.50, 31.82, 35.64, 116.0 (d, J 16.9), 124.08 (dd, JC,F 5.4, 4.6), 125.20 (dd, JC,F 3.8, 1.5), 126.93, 127.11, 128.92, 129.27 (d JC,F 3.1), 130.83, 131.00, 133.26 (d, JC,F 4.6), 137.75, 141.00, 142.51
  • 2
  • [ 156573-09-0 ]
  • [ 121219-16-7 ]
  • [ 1241535-57-8 ]
YieldReaction ConditionsOperation in experiment
77.8% With potassium carbonate;bis-triphenylphosphine-palladium(II) chloride; In Solmix A-11; water; toluene; for 2h;Reflux; Inert atmosphere; Third Step 4-Bromo-2,3-difluoroethoxybenzene (s-5) (45.2 g), 2, 3-difluorophenyllboronic acid (s-6) (36.1 g), potassium carbonate (79.1 g), Pd (Ph3P)2Cl2 (4.0 g), toluene (200 ml), Solmix A-11 (200 ml) and water (200 ml) were placed in a reaction vessel under an atmosphere of nitrogen, and heated to reflux for 2 hours. After the reaction solution had been cooled to 25C, it was poured into water (200 ml) and toluene (200 ml) and mixed with them. The mixture was then allowed to stand until it had separated into two layers of organic and aqueous layers, and the extraction into an organic layer was carried out. The resulting organic layers were separated, and washed with water, and then dried over anhydrous magnesium sulfate. The resulting solution was concentrated under reduced pressure. The resulting residue was purified by column chromatography using silica gel as a stationary phase powder and a mixed solvent of toluene and heptane (toluene: heptane= 2:1 by volume) as an eluent, and further purified by recrystallization from Solmix A-11 and dried to give 4-ethoxy-2,2',3,3'-tetrafluoro-1,1'-biphenyl (s-7) (40.1 g).
  • 3
  • [ 207399-07-3 ]
  • [ 121219-16-7 ]
  • [ 1428582-92-6 ]
YieldReaction ConditionsOperation in experiment
With tetrakis(triphenylphosphine) palladium(0); N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; water; at 115℃; for 2h;Inert atmosphere; To an oven dried pressure tube with a magnetic stir-bar were added <strong>[207399-07-3]IR-780</strong> (400 mg, 0.74 mmol), 2,3-difluoro phenyl boronic acid (1.17 g, 6.23 mmol), palladium (0) tetrakis (222 mg), 4.5 mL THF and 1.5 mL nano-pure water followed by 1.44 mL DIPEA. The reaction mixture was flashed with N2 and was heated to 115 C for 2 h. Mass spectral analysis indicated only the desired product with a very little peak corresponding to the decholinated starting material (m/z = 506). The product was purified using Teledyne's Isco CombiFlash system using dichloromethane/methanol as eluent.
  • 4
  • [ 38573-88-5 ]
  • [ 121219-16-7 ]
  • 2,3,2',3'-tetrafluorobiphenyl [ No CAS ]
YieldReaction ConditionsOperation in experiment
68.1% With tetrakis(triphenylphosphine) palladium(0); sodium carbonate; In ethanol; water; toluene; for 6h;Inert atmosphere; Reflux; 500 mL of a three-necked flask was added 15.8 g of compound D, 19.3 g 2,3-difluorobenzene, 120 mL of toluene,60 mL of ethanol, 60mL water, 42.4 g of sodium carbonate, Under nitrogen protection, 0.5 g of Pd (PPh3) 4 was added, Heating reflux 6h, Cooled to room temperature, After adding 100 mL of water, Dispensing, 100mL toluene extraction water layer, Combined with reservoirs, After the solvent was distilled off, Column chromatography, To give 15.4 g of a white solid compound E, Yield: 68.1% GC> 98%.
 

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