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CAS No. : | 69088-97-7 | MDL No. : | N/A |
Formula : | C8H8O4S | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 200.21 | Pubchem ID : | - |
Synonyms : |
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Signal Word: | Class: | ||
Precautionary Statements: | UN#: | ||
Hazard Statements: | Packing Group: |
* 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.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
96% | With triethylamine; In ethyl acetate; at 0 - 20℃; for 0.166667h;Green chemistry; | General procedure: To a solution of hydroxyarene (25.0 mmol) in ethyl acetate (75 mL) at 0 C was added triethylamine (5.06 g, 50.0 mmol) followed by MsCl (3.72 g, 32.5 mmol). After addition of MsCl, the ice-water bath was removed and the resulting thick slurry was vigorously stirred for 10 min. To the slurry was then added water (50 mL). The two-phase mixture was separated. The organic layer was washed with water (25 mL) and dried over anhydrous MgSO4. Removal of solvent under reduced pressure gave the corresponding pure aryl mesylate. |
81.23% | With triethylamine; In dichloromethane; at 20℃; for 24h; | General procedure: 4-Hydroxy benzaldehyde (1.14 g, 9.36 mmol) was dissolved in dichloromethane (20 ml) and to this solutiontriethylamine (1.43 ml, 10.30 mmol) was added drop wisewith stirring. Various substituted sulfonyl chlorides (9.36mmol) were added to the mixture and stirred at room temperature for 24 h. The reaction mixture was extractedwith water (3 × 20 ml) and brine (3 × 20 ml) repeatedly for removing triethylamine hydrochloride salt. The organiclayer was dried, solvent removed and the residue wasobtained as solid product. |
With sodium bicarbonate; In pyridine; | Step 1 Methanesulfonic Acid 4-formylphenyl Ester At 0 C., methanesulfonyl chloride (9.51 ml, 0.123 mol) was added to a solution of 4-hydroxybenzaldehyde (15 g, 0.123 mol) in pyridine (12.91 ml, 0.160 mol). The reaction mixture was stirred at 0 C. for 3 h and left at room temperature for 16 h. It was given onto conc. hydrochloric acid/ice (200 ml/200 ml). The mixture was extracted with ethyl acetate (4*300 ml). The combined organic layers were washed with a 5% aqueous solution of sodium hydrogen carbonate (3*200 ml) and brine (100 ml). They were dried over magnesium sulphate. The solvent was removed in vacuo to give 22.87 g of crude methanesulfonic acid 4-formylphenyl ester, which was used in the next step without further purification. 1H-NMR (CDCl3) delta 13.22 (s, 3 H); 7.45 (d, 2 H); 8.00 (d, 2 H); 10.02 (s, 1 H). |
With potassium carbonate; In DMF (N,N-dimethyl-formamide); at 20℃; for 16h; | A mixture of 4-hydroxybenzaldehyde (5.0 gm, 1.0 eq, 40.98 mmol), anhydrous K2CO3 (17 g, 3 eq, 123 mmol), and methanesulfonylchloride (4.76 mL, 1.5 eq, 61.37 mmol) in dry DMF (200 mL) was stirred at RT for 16 h. The reaction mixture was diluted with ethyl acetate (200 mL) and washed with water and brine. Organic layer was dried (Na2SO4), condensed, and the residue obtained was chromatographed using ethyl acetate and hexanes to obtain the title compound as white solid (2.0 g, 25%). Mp: 60-62 C. [0236] 1H NMR (CDCl3, 200 MHz) delta: 3.21 (s, 3H); 7.45 (d, J=8.8 Hz, 2H); 7.95 (d, J=8.8 Hz, 2H); 10.01 (s, 1H). [0237] IR (neat) cm-1: 3024, 2932, 1701, 1591, 1502. [0238] Mass m/z (CI): 201 [M+1]. | |
With triethylamine; In ethyl acetate; at 0 - 20℃; for 1h; | In a round bottom flask, aldehyde phenol (1.22 g, 10 mmol) was dissolved in 30 mL of ethyl acetate, and Et3N (2.8 mL, 20 mmol), MsCl (1.0 mL, 13 mmol) was added at 0 C, and the ice water bath was removed after the addition. The reaction was carried out at room temperature, and the reaction was confirmed by TLC. The reaction was quenched with addition of water, extracted with ethyl acetate, the organic phase washed with water, wash with saturated brine, dry over anhydrous magnesium sulfate, filtered over silica gel. After the filtrate was concentrated, the next reaction was carried out. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
1.899 g | With sodium tetrahydroborate; In methanol; dichloromethane; at 20℃; | The product of the above step was dissolved in 20 mL of MeOH and 20 mL of DCM, and NaBH4 (491.8 mg, 13 mmol) was added portionwise. After the addition, the reaction was carried out at room temperature, and the reaction was confirmed by TLC. The reaction was quenched by the addition of saturated ammonium chloride and extracted with DCM. The organic phase is washed with water, washed with saturated brine, dried over anhydrous sodium sulfate, filtration and concentration, silica gel column chromatography, eluent: petroleum ether / ethyl acetate = 4:1, to give a colorless liquid 1.89 g, yield 95%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
37% | A mixture of 4-methanesulfonyloxybenzaldehyde (500 mg, 1 eq, 2.5 mmol) obtained in preparation 10, methyl 2-ethoxy-3-(4-aminophenyl)propionate (557 mg, 1 eq, 2.5 mmol), obtained in preparation 6, activated molecular sieves (4 A), and p-TsOH (43 mg, 0.1 eq, 0.25 mmol) in dry DCM (15 ml) were stirred at RT for 16 h. The reaction mixture was diluted with ethylacetate (100 ml), washed with aq. sodium bicarbonate, dried (Na2SO4), condensed (rotavapor), and dried under high vac. The crude mass was dissolved in dry methanol (15 ml) and conc HCl (250 muL) was added at 0 C., followed by NaB(CN)H3 (188 mg, 1.2 eq, 3.0 mmol) in portions. The reaction mixture was stirred at 0 C. for 3 h, after that it was diluted with ethyl acetate (100 ml). The organic layer was washed with aq. sodium bicarbonate, dried (Na2SO4), and condensed. The residue was chromatographed using ethyl acetate and hexanes to obtain the title compound as thick oil (950 mg, 37%). [0444] 1H NMR (CDCl3, 200 MHz): delta 1.16 (t, J=6.9 Hz, 3H); 2.90 (d, J=6.8 Hz, 2H); 3.14 (s, 3H); 3.22-3.41 (m, 1H); 3.44-3.62 (m, 1H); 3.70 (s, 3H); 3.97 (t, J=6.6 Hz, 1H); 4.33 (s, 2H); 6.54 (d, J=8.3 Hz, 2H); 7.04 (d, J=8.3 Hz, 2H); 7.25 (d, J=8.3 Hz, 2H); 7.41 (d, J=8.3 Hz, 2H). [0445] IR (neat) cm-11: 3412, 2932, 1744, 1616, 1522, 1503. [0446] Mass m/z (CI): 408 [M+1], 407[M]. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
41% | With methanesulfonic acid; In acetone; | Nitrone 13f was synthesized following literature procedure18 starting from N-(p-fluorophenyl)-hydroxylamine (3.18 g, 25.0 mmol), p-mesyloxybenzaldehyde (5.00 g, 25.0 mmol), CH3SO3H (1 drop), and acetone (50 mL). Nitrone 13f was obtained as a white solid (3.18 g, 41%). Mp 158-160 C (acetone); IR 1603, 1506, 1373 cm-1; 1H NMR (600 MHz, DMSO-d6) 8.61-8.57 (m, 2H) overlapping 8.59 (s, 1H), 8.02-7.97 (m, 2H), 7.51-7.47 (m, 2H), 7.43-7.37 (m, 2H), 3.44 (s, 3H); 13C NMR (125 MHz, DMSO-d6) 162.4 (d, JCF 205.1 Hz), 149.8, 144.8, 132.5, 130.6, 130.1, 123.8 (d, JCF 7.5 Hz), 122.3, 115.9 (d, JCF 19.3 Hz); 19F NMR (376 MHz, DMSO-d6) -111.7 (m); HRMS (EI) m/z calcd for C14H12FNO4S: 309.0471; found: 309.0472. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
68.46% | General procedure: A mixture of TZD (0.70 g, 6 mmol) and anhydrous sodiumacetate (0.49 g, 6 mmol) in glacial acetic acid was refluxedat 110-120 C for 20 min. The intermediate sulfonate ester compounds, i.e., 2-12 (6 mmol) was added into the mixture and refluxed for 36 h by using Dean-Stark apparatus to remove water from the reaction. The solvent was evaporated and the residue was added onto crushed ice with stirring. The separated product was filtered, washed withwater, dried, and crystallized from acetone to yield the final product. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With dmap; triethylamine; In dichloromethane; at 20 - 30℃; | General procedure: 2-hydroxybenzaldehyde and 4-methylbenzenesulfonyl chloride reacted under DMAP/TEA/CH2Cl2 conditions2-aldehyde-phenyl-4-methylbenzenesulfonateThe yield is above 95%. After the treatment: CH2Cl2 extraction, washing with 1M HCl solution, washing with saturated NaHCO3 and saturated brine, rinsing the solvent, and then purifying by column chromatography, pure CH2Cl2. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
General procedure: To the stirring solution of antranilamide (4.1 equivalents) indimethylformamide, sodium acetate (2 equivalents) was added.After stirring for 10 min appropriate benzaldehyde derivative (1equivalent) and iodine (2 equivalents) were added. The reactionmixture was heated at 70-80 C for 20-24 h. Then reactionmixture was poured on to crushed-ice. The resulting mixture wastreated with sodium thiosulphate (10% w/v in water) to reduce theremaining iodine. The precipitate was filtered off and washed withn-hexane: ethyl acetate (50:50). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
84% | With ammonium acetate; acetic acid; In toluene; for 8h;Reflux; | General procedure: 0.05 mmol 7a and 0.6 mmol 8a were heated under reflux in NH4OAc/HOAc/PhMe (144 mg/0.2 mL/10 mL). This reaction as carried out for about 8 h until the starting material completely disappeared. After that, the raw product was extracted by CH2Cl2, washed successively with satured NaHCO3 and saturated NaCl. The solvent was evaporated and then purified by flash column chromatography, eluting with CH2Cl2 and then CH2Cl2:MeOH=100:1. Yield: 40%. |
Tags: 69088-97-7; 4-Formylphenyl methanesulfonate;
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