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Chemical Structure| 17070-58-5 Chemical Structure| 17070-58-5

Structure of 17070-58-5

Chemical Structure| 17070-58-5

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Product Details of [ 17070-58-5 ]

CAS No. :17070-58-5
Formula : C8H5ClO3S
M.W : 216.64
SMILES Code : O=S(C1=CC2=CC=CC=C2O1)(Cl)=O
MDL No. :MFCD04974038
InChI Key :RWCKBBSBRTUUHR-UHFFFAOYSA-N
Pubchem ID :2795172

Safety of [ 17070-58-5 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H314
Precautionary Statements:P260-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310
Class:8
UN#:3261
Packing Group:

Application In Synthesis of [ 17070-58-5 ]

* 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 [ 17070-58-5 ]

[ 17070-58-5 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 17070-58-5 ]
  • [ 326-64-7 ]
  • [ 1451261-50-9 ]
YieldReaction ConditionsOperation in experiment
39% With pyridine; at 20℃; for 72h; N-[5-Chloro-2-(trifluoromethoxy)phenyl]-1-benzofuran-2-sulfonamide To a solution of <strong>[326-64-7]5-chloro-2-(trifluoromethoxy)aniline</strong> (106 mg, 0.50 mmol) in pyridine (1 ml) at room temperature was added benzofuran-2-sulfonyl chloride (109 mg, 0.50 mmol) and the reaction was stirred during 72 hours and was concentrated in vacuo. The residue was treated with 4M NaOH (1 ml) in MeOH (3 ml) at room temperature for 30 minutes, acidified with 6M HCl, diluted with brine, and was extracted with EtOAc. The organic layer was dried over Na2SO4, and concentrated in vacuo. The residue was purified by flash column chromatography on silica gel (10% EtOAc in hexanes) to yield Compound 3 as an off-white solid (76 mg, 39%). 1H NMR (CHLOROFORM-d) delta: 7.75 (d, J=2.1 Hz, 1H), 7.65 (d, J=7.9 Hz, 1H), 7.50-7.53 (m, 1H), 7.44-7.49 (m, 2H), 7.32 (t, J=7.2 Hz, 1H), 7.07-7.12 (m, 2H).
  • 2
  • [ 881674-56-2 ]
  • [ 17070-58-5 ]
  • 1-(1-(benzofuran-2-yl)-5-(2-fluorophenyl)-1H-pyrrol-3-yl)-N-methylmethanamine [ No CAS ]
  • 3
  • [ 881674-56-2 ]
  • [ 17070-58-5 ]
  • 1-(benzofuran-2-yl)-5-(2-fluorophenyl)-1H-pyrrole-3-carbaldehyde [ No CAS ]
YieldReaction ConditionsOperation in experiment
67.2% First step:1- (benzofuran-2-yl) -5- (2-fluorophenyl) lH-pyrrole-3-carbaldehyde. Under ice-cooling, 5- (2-fluorophenyl) lH-pyrrole-3-carbaldehyde 1a (100mg,0.53mmol, prepared according to the literature derived WO2007026916) was dissolved in4mL tetrahydrofuran was added to the reaction mixture hydrogenated sodium (106mg, 60%),the addition was completed, the reaction solution was stirred for 30 minutes. To thereaction mixture was added benzofuran-2-sulfonyl chloride 1b (172mg, 0.79mmol, preparedaccording to WO2006047302 obtained prior literature), the addition was completed,stirring for 18 hours at room temperature. Water was added to quench the reaction, thereaction solution was extracted with ethyl acetate (5mL × 3), the combined organicphases, the aqueous phase was pH adjusted with 6M hydrochloric acid <1, and extractedwith dichloromethane (100mL × 2), organic phases were combined, dried over anhydroussulfate sodium sulfate, filtered, and the filtrate was concentrated under reducedpressure, purified by silica gel column chromatography with eluent systems B resultantresidue was purified to give the title product, 1- (benzofuran-2-yl) -5- (2-fluorophenylyl) lH-pyrrole-3-carbaldehyde 1c (131mg, white solid), yield: 67.2%.
 

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