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[ CAS No. 782-17-2 ]

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2D
Chemical Structure| 782-17-2
Chemical Structure| 782-17-2
Structure of 782-17-2 *Storage: {[proInfo.prStorage]}

Quality Control of [ 782-17-2 ]

Related Doc. of [ 782-17-2 ]

SDS
Alternatived Products of [ 782-17-2 ]
Alternatived Products of [ 782-17-2 ]

Product Details of [ 782-17-2 ]

CAS No. :782-17-2MDL No. :MFCD00068178
Formula : C14H10FN Boiling Point : 389.094°C at 760 mmHg
Linear Structure Formula :C8H5NH(C6H4F)InChI Key :-
M.W :211.23Pubchem ID :-
Synonyms :

Computed Properties of [ 782-17-2 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 782-17-2 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313UN#:N/A
Hazard Statements:H315-H319Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 782-17-2 ]

  • Downstream synthetic route of [ 782-17-2 ]

[ 782-17-2 ] Synthesis Path-Downstream   1~7

  • 1
  • [ 403-42-9 ]
  • [ 100-63-0 ]
  • [ 782-17-2 ]
YieldReaction ConditionsOperation in experiment
40% With acetic acid; zinc(II) chloride In neat (no solvent) at 25 - 180℃; for 0.416667h; General procedure for the synthesis of 2-phenylindole (4a) General procedure: Phenylhydrazine 1a (5.1 mmol) and acetophenone 2a (5 mmol) and anhydrous zinc chloride (200 mol %) were mixed together using pestle in mortar and few drops ofacetic acid (0.1 N) was added drop-wise with continuous mixing at room temperature for 10 min. The mixture was transferred into a round-bottomed flask fitted with a reflux condenser attached with CaCl2 guard tube. Then the mixture was heated slowly up to the temperature of 180 °C. The reaction was monitored by TLC using 10% ethyl acetatein n-hexane and the reaction was observed to be completed within 15 min. The mixture was cooled to room temperature and diluted with 5mL dichloromethane and 5mL water. The dichloromethane layer was separated and aqueous layer extracted repeatedly with dichloromethane (3 x 5mL). The combined organic layer was dried over anhydrous Na2SO4, filtered, and solvent was evaporated under reduced pressure. The crude product was purified using flash column chromatography over silica gel using 6% ethyl acetate in hexane as eluent to afford the pure product 2-phenylindole 4a in 86% yield as light yellow solid (Table 1, entry 1).
With 2.) P.P.A. 2.) 125-150 deg C; Multistep reaction;
With acetic acid In methanol Reflux;
With PPA
With acetic acid In tetrahydrofuran Inert atmosphere; 1 The synthetic route according to the synthetic route is as follows: Under the conditions of tetrahydrofuran THF, fluoropolymer processing aid PPA and acetic acid, the reaction takes place as raw materials,obtain
With methanesulfonic acid; acetic acid at 80℃; 4.1.1 General procedures for the synthesis of 2-phenyl-1H-indole-3-carbaldehyde derivatives General procedure: P-substituted acetophenone (2mmol) and phenyl-hydrazine (2mmol) were poured into a round bottom flask, then CH3COOH (0.5mL) and CH4O3S (27mmol) were added. After the thin layer chromatography (TLC) monitoring reaction was completed, the intermediate 3 was obtained by pouring the mixture into ice water. At -30°C, POCl3 (10mmol) was slowly added dropwise to a round bottom flask containing DMF (10mmol), and the reaction was stirred for 1h. After that, intermediate 3 (1mmol) was dissolved in DMF, slowly added dropwise to the flask, and the reaction was heated to 70°C with stirring. Monitor the reaction through the TLC. Finally, the mixture was poured into ice water, washed with 40% NaOH solution, and then extracted with DCM to obtain intermediate 4.
Stage #1: 1-(4-fluorophenyl)ethanone; phenylhydrazine With acetic acid In ethanol at 80℃; Stage #2: at 120℃;

  • 2
  • [ 33513-42-7 ]
  • [ 782-17-2 ]
  • [ 70093-12-8 ]
YieldReaction ConditionsOperation in experiment
76% With trichlorophosphate at 40℃; for 0.75h;
With sodium hydroxide; trichlorophosphate 1.) 45 min, 10 - 15 deg C, 2.) water-bath, 1h; Yield given. Multistep reaction;
With trichlorophosphate
With trichlorophosphate at 0 - 23℃;
With trichlorophosphate
With trichlorophosphate at 0 - 50℃; for 2h; Inert atmosphere;
Stage #1: N,N-dimethyl-formamide With trichlorophosphate at 10 - 15℃; for 0.25h; Stage #2: 2-(4-fluorophenyl)indole at 40 - 50℃; for 0.75h;
Stage #1: N,N-dimethyl-formamide With trichlorophosphate at -30℃; for 1h; Stage #2: 2-(4-fluorophenyl)indole at 70℃; 4.1.1 General procedures for the synthesis of 2-phenyl-1H-indole-3-carbaldehyde derivatives General procedure: P-substituted acetophenone (2mmol) and phenyl-hydrazine (2mmol) were poured into a round bottom flask, then CH3COOH (0.5mL) and CH4O3S (27mmol) were added. After the thin layer chromatography (TLC) monitoring reaction was completed, the intermediate 3 was obtained by pouring the mixture into ice water. At -30°C, POCl3 (10mmol) was slowly added dropwise to a round bottom flask containing DMF (10mmol), and the reaction was stirred for 1h. After that, intermediate 3 (1mmol) was dissolved in DMF, slowly added dropwise to the flask, and the reaction was heated to 70°C with stirring. Monitor the reaction through the TLC. Finally, the mixture was poured into ice water, washed with 40% NaOH solution, and then extracted with DCM to obtain intermediate 4.

  • 5
  • [ 782-17-2 ]
  • 2-(4-fluorophenyl)-3H-indol-3-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
83% With pyridine; oxygen; [7-(dimethylamino)phenothiazin-3-ylidene]dimethylazanium chloride In methanol for 2h; Irradiation;
25% Stage #1: 2-(4-fluorophenyl)-1H-indole With glacial acetic acid; NaNO2 for 0.5h; Stage #2: With sodium dihydrosulfite; sodium hydroxide In ethanol for 2h; Reflux; Further stages;
Multi-step reaction with 2 steps 1: oxygen; pyridine / 20 °C / 760.05 Torr / Irradiation 2: 100 °C
Stage #1: 2-(4-fluorophenyl)-1H-indole With iodine; potassium hydroxide In N,N-dimethyl-formamide at 20℃; for 2h; Stage #2: With mesoporous silica In N,N-dimethyl-formamide at 120℃; for 4h;
Stage #1: 2-(4-fluorophenyl)-1H-indole With iodine; potassium hydroxide In N,N-dimethyl-formamide at 20℃; for 2h; Inert atmosphere; Stage #2: With mesoporous silica In N,N-dimethyl-formamide at 120℃; for 4h;
With N-iodo-succinimide; dimethyl sulfoxide at 20℃; for 2h;

  • 6
  • [ 50606-58-1 ]
  • [ 782-17-2 ]
  • 3-(1-benzyl-piperidin-3-yl)-2-(4-fluoro-phenyl)-1<i>H</i>-indole [ No CAS ]
  • 7
  • [ 108-86-1 ]
  • [ 782-17-2 ]
  • 2-(4-fluorophenyl)-1-phenyl-1H-indole [ No CAS ]
YieldReaction ConditionsOperation in experiment
83% With palladium diacetate; sodium hydroxide; 1,3-bis[(2,6-diisopropyl)phenyl]imidazolinium chloride In toluene at 100℃; for 10h;
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