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[ CAS No. 54109-03-4 ]

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2D
Chemical Structure| 54109-03-4
Chemical Structure| 54109-03-4
Structure of 54109-03-4 *Storage: {[proInfo.prStorage]}

Quality Control of [ 54109-03-4 ]

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Related Doc. of [ 54109-03-4 ]

SDS

Product Details of [ 54109-03-4 ]

CAS No. :54109-03-4MDL No. :MFCD09842447
Formula : C8H5ClO2 Boiling Point : 363.9°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :168.58Pubchem ID :241737
Synonyms :

Computed Properties of [ 54109-03-4 ]

TPSA : 26.3 H-Bond Acceptor Count : 2
XLogP3 : - H-Bond Donor Count : 0
SP3 : 0.13 Rotatable Bond Count : 0

Safety of [ 54109-03-4 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 54109-03-4 ]

  • Downstream synthetic route of [ 54109-03-4 ]

[ 54109-03-4 ] Synthesis Path-Downstream   1~10

  • 3
  • [ 7499-07-2 ]
  • [ 612-19-1 ]
  • [ 54109-03-4 ]
  • [ 13049-38-2 ]
  • 3,3'-dichloro-5,5'-dimethyl-1,1'-biphenyl [ No CAS ]
  • 3-chloro-3'-ethyl-5-methyl-1,1'-biphenyl [ No CAS ]
  • 4
  • [ 7499-07-2 ]
  • [ 619-04-5 ]
  • [ 54109-03-4 ]
  • [ 4920-95-0 ]
  • 3'-chloro-3,4,5'-trimethyl-1,1'-biphenyl [ No CAS ]
  • 3,3'-dichloro-5,5'-dimethyl-1,1'-biphenyl [ No CAS ]
  • 5
  • [ 7499-07-2 ]
  • [ 54109-03-4 ]
  • 3,3'-dichloro-5,5'-dimethyl-1,1'-biphenyl [ No CAS ]
  • 6
  • [ 7499-07-2 ]
  • [ 6245-57-4 ]
  • [ 54109-03-4 ]
  • [ 4741-62-2 ]
  • 3,3'-dimethoxy-5,5'-dimethyl-1,1'-biphenyl [ No CAS ]
  • 3,3'-dichloro-5,5'-dimethyl-1,1'-biphenyl [ No CAS ]
  • 3-chloro-3'-methoxy-5,5'-dimethyl-1,1'-biphenyl [ No CAS ]
  • 7
  • [ 201230-82-2 ]
  • [ 82386-90-1 ]
  • [ 54109-03-4 ]
YieldReaction ConditionsOperation in experiment
87% With triethylamine; In acetonitrile; at 250℃; under 49403.3 Torr; for 16h;Autoclave; General procedure: A magnetic stirring bar, 2-iodobenzyl alcohol (1a, 116.0 mg, 0.5 mmol), NEt3 (251.6 mg, 2.5 mmol), and MeCN (10 mL) were placed in a stainless steel autoclave equipped with an inserted Pyrex glass liner. The autoclave was closed, purged three times with carbon monoxide, pressurized with 65 atm of CO and then heated at 250 °C by salt bath with stirring for 16 h. After the reaction, excess CO was discharged at room temperature. The solvent was removed under reduced pressure, and the residue was purified by flash chromatography on silica gel (hexane/EtOAc = 3/1) to give 2a (60.4 mg, 91percent) as a white solid.
  • 8
  • [ 615-60-1 ]
  • [ 54109-03-4 ]
  • 9
  • [ 95-47-6 ]
  • [ 54109-03-4 ]
  • 10
  • [ 54109-03-4 ]
  • [ 571903-63-4 ]
  • 1-(4-iodophenyl)-5-chloroisobenzofuran [ No CAS ]
YieldReaction ConditionsOperation in experiment
In tetrahydrofuran;Sonication; 100mL and 150mL o-xylene was added dichloromethane 1000mL four-necked flask, 3g of zinc powder, placed on a magnetic stirrer, to 200r / min speed stirring 10min; At the end of the flask was introduced chlorine gas, aeration rate was washed with 10mL / min, aeration time was 10min, the reaction was allowed to stand after the aeration 1h, with a concentration of 10percent sodium hydroxide solution to colorless, into a distillation apparatus, was heated to 70 , dichloromethane was removed by distillation, to precipitate a white solid; white solid was placed in the above-described three-necked flask equipped with a thermometer, a condenser and a stirrer was charged with 50g and 10g of glacial acetic acid and potassium permanganate 3g solid sodium hydroxide, transferred to the water bath temperature was raised to 70 deg.] C shaking bed oscillating reaction 1h, placed in a rotary evaporator, heated to 80 , rotary evaporated to remove acetic acid to give white crystals; added 200mL ethyl acetate equipped with a stirrer and a thermometer four flask, 50g and 20g of sodium chloride sodium hydrogen sulfite and 800mL of distilled water, start agitator 500r / min stirring speed at the stirring process, the white crystals obtained above was added 5 min the flask, stirring was continued for 10min; after stirring was complete, 300mL layered ethyl acetate, poured into a separatory funnel and the organic layer was separated, was added 20mL of 10percent concentration sodium hydroxide solution to wash pale yellow, ethyl acetate was distilled off; the mixture of ethyl acetate was distilled off after added 20g of iodine chlorobenzene and 3g magnesium, and 50mL tetrahydrofuran, placed in an ultrasonic shaker, the ultrasonic oscillating reaction 10min, ultrasonic frequency of 25KHz, ultrasonic power 100W, ultrasound was added 50mL reaction was continued concentration of 95percent ethanol solution and immediately transferred to an ice bath pot was allowed to stand at 4 6h, until no precipitation, transferred to a Buchner funnel after filtration to give 1- (4-iodophenyl) -5-chloro-isobenzofuran .
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