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Chemical Structure| 6025-56-5 Chemical Structure| 6025-56-5

Structure of 6025-56-5

Chemical Structure| 6025-56-5

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Product Details of [ 6025-56-5 ]

CAS No. :6025-56-5
Formula : C13H11NO2
M.W : 213.23
SMILES Code : O=C(O)C1=CC=CC(NC2=CC=CC=C2)=C1
MDL No. :MFCD19381866

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Application In Synthesis of [ 6025-56-5 ]

* 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 [ 6025-56-5 ]

[ 6025-56-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 618-89-3 ]
  • [ 62-53-3 ]
  • [ 6025-56-5 ]
YieldReaction ConditionsOperation in experiment
82% With caesium carbonate; DavePhos;tris-(dibenzylideneacetone)dipalladium(0); In toluene; at 100℃; for 20h; Methyl 3-bromobenzoate (1000 mg, 4.65 [MMOL),] Pd2 (dba) 3 (53 mg, 0.058 mmol), [CS2CO3] (2120 mg, 1.4 mmol) [AND N-[2'-(DICYCLOHEXYLPHOSPHINO)-1, 1'-BIPHENYL-2-YL]-] [N,] N-dimethylamine (27mg, 0.07 mmol) were placed in a 100ml one-necked round bottom flask. The system was evacuated and filled with argon several times. Then aniline (519 mg, 5.58 mmol) was added, followed by the addition of toluene (50 ml). The solution was heated at [100C] for 20h, the solvent was removed in vacuo and residue was purified by silica gel chromatography [(ETOAC/HEPATANE] [1/3)] to get 180 mg (18%) of methyl ester as a yellow solid, which was hydrolyzed by [LIOH] (50 mg) ) in THF (4 [ML)] and water (1 [ML)] to afford 140 mg (82%) of 3-Anilinobenzoic acid as a white [SOLID. 1H] NMR (400 MHz, DMSO-d6) 8 8.02 (s, 1 H), 7.65 (s, 1 H), 7.33 (d, J = 7.5 Hz, 1 H), 7.19 (t, J= 8.3 Hz, 2 H), 7.10 (d, J= 7.7 Hz, 1H), 7.03 (d, J= 7.6 Hz, 2 H), 6.96 [(M,] [1] H), 6.76 (t, J= 7.3 Hz, [1] [H)
 

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