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Chemical Structure| 145343-76-6 Chemical Structure| 145343-76-6

Structure of 145343-76-6

Chemical Structure| 145343-76-6

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Product Details of [ 145343-76-6 ]

CAS No. :145343-76-6
Formula : C7H4ClIO2
M.W : 282.46
SMILES Code : O=C(O)C1=CC=C(I)C=C1Cl
MDL No. :MFCD05863523
InChI Key :KVFAMLOGLYILKM-UHFFFAOYSA-N
Pubchem ID :821264

Safety of [ 145343-76-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Application In Synthesis of [ 145343-76-6 ]

* 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 [ 145343-76-6 ]

[ 145343-76-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 145343-76-6 ]
  • [ 628692-15-9 ]
  • 2-chloro-4-(2-methoxypyrimidin-5-yl)benzoic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In water; N,N-dimethyl-formamide; at 100℃; for 14h; Step A. 2-Chloro-4-(2-methoxypyrimidin-5 -yl)benzoic acid A suspension of 2-chloro-4-iodobenzoic acid (300 mg, 1.1 mmol), <strong>[628692-15-9](2-methoxypyrimidin-5-yl)boronic acid</strong> (330 mg, 2.1 mmol), Pd(PPh3)4 (120 mg, 0.11 mmol) and K2C03 (0.44 g, 3.2 mmol) in DMF (3.6 mL) and H20 (0.6 mL) was stirred at 100 °C for 14 hours. The reaction was cooled to RT and filtered with Celite and it was washed with water. The filtrate was washed with dichloromethane. The aqueous layer was neutralized by iN aq. HC1 to pH 7 to afford a precipitate. The precipitate was collected and dried to give the title compound.MS (ESI) mlz = 265, 267 (M+H)?H NMR (400 MHz, DMSO-d6) oe: 9.03 (2H, s), 7.97 (1H, d, J = 1.8 Hz), 7.88 (1H, d, J = 8.2 Hz), 7.80 (1H, dd, J = 7.8, 1.8 Hz), 3.98 (3H, s)
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In water; N,N-dimethyl-formamide; at 100℃; for 14h; A suspension of 2-chloro-4-iodobenzoic acid (300 mg, 1.1 mmol), (0868) <strong>[628692-15-9](2-methoxypyrimidin-5-yl)boronic acid</strong> (330 mg, 2.1 mmol), Pd(PPh3)4 (120 mg, 0.11 mmol) and K2C03 (0.44 g, 3.2 mmol) in DMF (3.6 mL) and H20 (0.6 mL) was stirred at 100 °C for 14 hours. The reaction was cooled to RT and filtered with Celite and it was washed with water. The filtrate was washed with dichloromethane. The aqueous layer was neutralized by IN aq. HCl to pH 7 to afford a precipitate. The precipitate was collected and dried to give the title compound. MS (ESI) m/z = 265, 267 (M+H) (0869) 1H NMR (400 MHz, OMSO-d6) delta (ppm): 9.03 (2H, s), 7.97 (1H, d, J = 1.8 Hz), 7.88 (1H, d, J = 8.2 Hz), 7.80 (1H, dd, J = 7.8, 1.8 Hz), 3.98 (3H, s)
 

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