[ CAS No. 831-81-2 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 831-81-2
Chemical Structure| 831-81-2
Structure of 831-81-2

Quality Control of [ 831-81-2 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 831-81-2 ]

SDS

Product Details of [ 831-81-2 ]

CAS No. :831-81-2MDL No. :MFCD00094070
Formula :C13H11ClBoiling Point :289.4°C at 760 mmHg
Linear Structure Formula :C6H5CH2C6H4ClInChI Key :-
M.W :202.68Pubchem ID :-
Synonyms :

Computed Properties of [ 831-81-2 ]

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

Safety of [ 831-81-2 ]

Signal Word:WarningClassN/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 [ 831-81-2 ]

  • Downstream synthetic route of [ 831-81-2 ]

[ 831-81-2 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 140-11-4 ]
  • [ 108-90-7 ]
  • [ 831-81-2 ]
  • [ 29921-41-3 ]
  • [ 27798-38-5 ]
  • 2
  • (4-chlorophenyl)methyl methyl carbonate [ No CAS ]
  • [ 98-80-6 ]
  • [ 831-81-2 ]
  • 3
  • [ 108-90-7 ]
  • [ 100-51-6 ]
  • [ 831-81-2 ]
  • [ 29921-41-3 ]
YieldReaction ConditionsOperation in experiment
With triphenylphosphine ditriflate; In dichloromethane; at 20℃; for 2h; General procedure: To a solution of Ph3PO (0.33 g, 1.2 mmol) in CH2Cl2 (1 mL), Tf2O (0.2 mL, 1.2 mmol) was added at 0 C and the solution was stirred for 15 min at room temperature. Then, arene (1 mmol) and benzyl alcohol (1 mmol) were added to the reaction mixture and the mixture was stirred for the appropriate time shown in Table 1 and Table 2. Upon completion of the reaction, the organic solvent was evaporated and the crude product was purified by column chromatography using n-hexane as eluent to give the diarylmethane. In the case of 4-nitrobenzyl alcohol, EtOAc/n-hexane (1:9) was used as the eluent.
  • 6
  • [ 108-90-7 ]
  • benzyl 6-nitrobenzothiazol-2-yl carbonate [ No CAS ]
  • [ 831-81-2 ]
  • [ 29921-41-3 ]
  • 7
  • [ 104-83-6 ]
  • [ 98-80-6 ]
  • [ 831-81-2 ]
YieldReaction ConditionsOperation in experiment
86% With potassium carbonate; sodium chloride; palladium dichloride; cucurbituril; In ethanol; water; at 90℃; for 1h;Inert atmosphere; General procedure: A round-bottomed flask equipped with a condenser was charged with benzyl chloride (0.5 mmol), arylboronic acid (0.6 mmol), base (0.75 mmol), Pd(II) catalyst (3 mol%) and the mixture was stirred in 5 mL of solvent at 90 C for the required time. After completion, the reaction mixture was diluted with ether (10 mL), water (10 mL) and extracted with ether (3 ×10 mL). The combined extract was dried over MgSO4. After evaporation of the solvent under reduced pressure, the residue was purified by column chromatography to obtain the desired products.
85% With potassium carbonate; N,N-dimethyl-formamide; palladium dichloride; In water; at 90℃; for 1h; General procedure: A round-bottomed flask equipped with a condenser was charged with benzyl chloride (0.5 mmol), aryl boronic acid (0.6 mmol), base (1.0 mmol), PdCl2 (1.0 mol%) and the mixture was stirred in 5 mL of solvent at 90 C for the required time. After completion, the reaction mixture was diluted with ether (10 mL), water (10 mL) and extracted with ether (3 × 10 mL). The combined extract was dried over anhydrous Na2SO4. After evaporation of the solvent under reduced pressure, the residue was purified by column chromatography to obtain the desired products.
  • 8
  • [ 62084-35-9 ]
  • [ 831-81-2 ]
  • [ 134-85-0 ]
  • 9
  • [ 78358-09-5 ]
  • [ 71-43-2 ]
  • [ 831-81-2 ]
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