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[ CAS No. 113081-49-5 ] {[proInfo.proName]}

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Chemical Structure| 113081-49-5
Chemical Structure| 113081-49-5
Structure of 113081-49-5 * Storage: {[proInfo.prStorage]}
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Product Details of [ 113081-49-5 ]

CAS No. :113081-49-5 MDL No. :MFCD17169043
Formula : C8H8BrClO Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 235.51 Pubchem ID :-
Synonyms :

Safety of [ 113081-49-5 ]

Signal Word:Danger Class:8
Precautionary Statements:P260-P264-P270-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501 UN#:3261
Hazard Statements:H302-H335-H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 113081-49-5 ]

* 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 [ 113081-49-5 ]

[ 113081-49-5 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 17100-64-0 ]
  • [ 113081-49-5 ]
YieldReaction ConditionsOperation in experiment
96% With thionyl chloride; A mixture of 17-2 (2.50 g, 11.52 mmol) in SOCl2 (15 mL) was stirred at 70 °C for 2 hours. After cooling to r.t, the mixture was concentrated, and the residue was diluted with EtOAc (150 mL). The organic phase was washed with water (30 mL) and brine (30 mL), dried over Na2S04, filtered and concentrated to afford compound 17-3 (2.60 g, 11.04 mmol, 96percent yield) as an oil. 1H NMR (400MHz, DMSO-d6) deltaEta = 7.57 (d, 1H), 7.20 (d, 1H), 6.97 (dd, 1H), 4.74 (s, 2H), 3.86 (s, 3H).
With pyridine; thionyl chloride; In toluene; 4-Bromo-3-methoxybenzyl alcohol (21.7 g, 0.1 m) dissolved in toluene (200 ml) containing pyridine (11.8 g, 0.15 m) is stirred at 5° and treated wiih thionyl chloride (23.8 g, 0.2 m). The mixture is stirred, diluted with water and the organic layer washed with dilute hydrochloric acid, dried and concentrated in vacuo to give 4-bromo-3-methoxybenzyl chloride.
With pyridine; thionyl chloride; In toluene; 4-Bromo-3-methoxybenzyl alcohol (2l.7 g, 0.l m) dissolved in toluene (200 ml) containing pyridine (ll.8 g, 0.l5 m) is stirred at 5° and treated with thionyl chloride (23.8 g, 0.2 m). The mixture is stirred, diluted with water and the organic layer washed with dilute hydrochloric acid, dried and concentrated in vacuo to give 4-bromo-3-methoxybenzyl chloride.
With thionyl chloride; In N,N-dimethyl-formamide; at 0 - 20℃; for 24.33h; To a solution of <strong>[17100-64-0]4-bromo-3-methoxybenzyl alcohol</strong> (31.0 g, 143 mmol) in DMF (200 mL) at 0° C. was added thionyl chloride (17.5 mL, 241 mmol) dropwise over the course of 20 minutes. The resultant mixture was allowed to warm to room temperature and stirring was continued for 24 hours. The reaction was quenched with water and extracted with ether. The combined organic extracts were washed with water and dried over magnesium sulfate before being concentrated in vacuo. The residue was taken up in triethylphosphite (200 mL) and the solution was heated to 150° C. for 4 hours. Excess triethylphosphite was removed in vacuo to afford the crude product which was purified by vacuum distillation to afford the title compound as a colorless oil which solidified upon standing (34.7 g, 72percent).
With thionyl chloride; In dichloromethane; N,N-dimethyl-formamide; at 20℃; for 12h; Into a 100-mL 3-necked round-bottom flask was placed (4-bromo-3- methoxyphenyl)methanol (1 g, 4.61 mmol, 1.00 equiv), dichloromethane (30 mL), thionyl chloride (1.64 g, 13.90 mmol, 3.00 equiv), and N,N-dimethylformamide (0.2 mL). The resulting solution was stirred for 12 h at 20 °C. The resulting mixture was washed with 3x10 mL of H20. The mixture was dried over anhydrous sodium sulfate and concentrated under vacuum. This resulted in 1 g (92percent) of the title compound as a red crude oil. Analytical Data: ?H NMR (300 MHz, DMSO-d6) 7.57 (d, J 8.1 Hz, 1H), 7.20 (d, J 2.0 Hz, 1H), 6.97 (d, J= 8.1, 2.0 Hz, 1H), 4.74 (s, 2H), 3.85 (s, 3H).
2.6 g With thionyl chloride; at 70℃; for 2h; A mixture of A-27 (2.50 g, 11.52 mmol) in SOCl2 (15 mL) was stirred at 70 C for 2 hours. The mixture was concentrated, and the residue was diluted with EtOAc (150 mL). The organic phase was washed with water (30 mL) and brine (30 mL), dried over Na2S04, filtered and concentrated to give A-28 (2.60 g, 11.04 mmol) as an oil. H NMR (400MHz DMSO-ifc) _ = 7.57 (d, 1H), 7.20 (d, 1H), 6.97 (dd, 1H), 4.74 (s, 2H), 3.86 (s, 3H).

  • 2
  • [ 17100-64-0 ]
  • [ 124-63-0 ]
  • [ 113081-49-5 ]
YieldReaction ConditionsOperation in experiment
With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20℃; for 16h; Intermediate Example Int 10.27.011 -bromo-4-(ch loromethy l)-2-methoxybenzeneTo a stirred solution <strong>[17100-64-0](4-bromo-3-methoxyphenyl)methanol</strong> (660 mg) in DCM (20 mL) was added N,N-Diisopropylethylamin (1 .59 mL) and methanesulfonyl chloride (0.36 mL) and the mixture was stirred at r.t. for 16 h. A half-saturated solution of sodium bicarbonate was added and the mixture was extracted with DCM. The organic phase was washed with saturated sodium chloride solution, dried (sodium sulfate) and the solvent was removed in vacuum. Silicagel chromatography gave 700 mg of the title compound.
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