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[ CAS No. 881677-11-8 ] {[proInfo.proName]}

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Chemical Structure| 881677-11-8
Chemical Structure| 881677-11-8
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Product Details of [ 881677-11-8 ]

CAS No. :881677-11-8 MDL No. :MFCD11875978
Formula : C16H11FN2O3S Boiling Point : -
Linear Structure Formula :- InChI Key :IXCSYEVJOAWXRH-UHFFFAOYSA-N
M.W : 330.33 Pubchem ID :86232932
Synonyms :

Calculated chemistry of [ 881677-11-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 23
Num. arom. heavy atoms : 17
Fraction Csp3 : 0.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 5.0
Num. H-bond donors : 0.0
Molar Refractivity : 82.08
TPSA : 77.41 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.86 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.01
Log Po/w (XLOGP3) : 2.05
Log Po/w (WLOGP) : 4.24
Log Po/w (MLOGP) : 2.1
Log Po/w (SILICOS-IT) : 2.41
Consensus Log Po/w : 2.56

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.46
Solubility : 0.114 mg/ml ; 0.000345 mol/l
Class : Soluble
Log S (Ali) : -3.3
Solubility : 0.164 mg/ml ; 0.000496 mol/l
Class : Soluble
Log S (SILICOS-IT) : -5.57
Solubility : 0.000889 mg/ml ; 0.00000269 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.98

Safety of [ 881677-11-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 881677-11-8 ]

* 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 [ 881677-11-8 ]

[ 881677-11-8 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 42899-76-3 ]
  • [ 881677-11-8 ]
YieldReaction ConditionsOperation in experiment
82% Reference Example 63 5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde; To a solution (96 mL) of 5-(2-fluorophenyl)-1H-pyrrole-3-carbaldehyde (475 mg) in tetrahydrofuran was added sodium hydride (60percent in oil, 503 mg) at room temperature and the mixture was stirred for 30 min. 15-Crown-5 (2.77 g) was added dropwise and the mixture was stirred for 30 min. Pyridine-3-sulfonyl chloride hydrochloride (1.35 g) was added, and the mixture was further stirred for 3 hr. The reaction mixture was diluted with saturated brine, and the mixture was extracted with ethyl acetate. The extract was washed with saturated brine, dried over anhydrous magnesium sulfate, and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (eluent: hexane-ethyl acetate=7:3-->2:3) and crystallized from diisopropyl ether-ethyl acetate (4:1) to give the title compound as colorless crystals (yield 680 mg, 82percent). 1H-NMR (CDCl3) delta: 6.68 (1H, d, J=1.8 Hz), 6.99-7.05 (1H, m), 7.16-7.19 (2H, m), 7.35-7.39 (1H, m), 7.45-7.51 (1H, m), 7.69-7.73 (1H, m), 8.14 (1H, d, J=1.8 Hz), 8.58-8.59 (1H, m), 8.81-8.83 (1H, m), 9.91 (1H, s).
  • 2
  • [ 881674-56-2 ]
  • [ 42899-76-3 ]
  • [ 881677-11-8 ]
YieldReaction ConditionsOperation in experiment
82% Reference Example 245 5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde To a solution (96 mL) of <strong>[881674-56-2]5-(2-fluorophenyl)-1H-pyrrole-3-carbaldehyde</strong> (475 mg) in tetrahydrofuran was added sodium hydride (60percent in oil, 503 mg) at room temperature and the mixture was stirred for 30 min. 15-Crown-5 (2.77 g) was added dropwise and the mixture was stirred for 30 min, pyridine-3-sulfonyl chloride hydrochloride (1.35 g) was added, and the mixture was further stirred for 3 hr. Saturated brine was added to the reaction mixture, and the mixture was extracted with ethyl acetate. The extract was washed with saturated brine, dried over anhydrous magnesium sulfate, and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (eluent: hexane-ethyl acetate=7:3?2:3), and crystallized from diisopropyl ether-ethyl acetate (4:1) to give the title compound as colorless crystals (yield 680 mg, 82percent). 1H-NMR (CDCl3)delta: 6.68 (1H, d, J=1.8 Hz), 6.99-7.05 (1H, m), 7.16-7.19 (2H, m), 7.35-7.39 (1H, m), 7.45-7.51 (1H, m), 7.69-7.73 (1H, m), 8.14 (1H, d, J=1.8 Hz), 8.58-8.59 (1H, m), 8.81-8.83 (1H, m), 9.91 (1H, s).
78% A total of 0.5g, 4-dimethylaminopyridine 90mg, 5ml acetonitrile, take N, N-diisopropylethylamine1.5g with a small amount of acetonitrile dissolved in the above reaction bottle, take pyridine-3-sulfonyl chloride hydrochloride 1.1g, with 5mlAcetonitrile dissolved into the reaction flask, heated to 45 ° C stirring reaction 5h after cooling to room temperature, adding 5ml of water,The pH was adjusted to 5 with 0.5 N hydrochloric acid solution, and 20 ml of water was slowly added dropwise (at this time, a large amount of white solid precipitated)Stirring at room temperature for 0.5h, cooling to below 10 , stirring 1h, filtration, filter cake with a small amount of acetonitrile and water mixtureWashing, 50 ° C drying was V total of 0.69g, yield 78percent.
In tetrahydrofuran; Reference Example 245 5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde To a solution (96 mL) of <strong>[881674-56-2]5-(2-fluorophenyl)-1H-pyrrole-3-carbaldehyde</strong> (475 mg) in tetrahydrofuran was added sodium hydride (60percent in oil, 503 mg) at room temperature and the mixture was stirred for 30 min. 15-Crown-5 (2.77 g) was added dropwise and the mixture was stirred for 30 min, pyridine-3-sulfonyl chloride hydrochloride (1.35 g) was added, and the mixture was further stirred for 3 hr. Saturated brine was added to the reaction mixture, and the mixture was extracted with ethyl acetate. The extract was washed with saturated brine, dried over anhydrous magnesium sulfate, and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (eluent: hexane-ethyl acetate=7:3-->2:3), and crystallized from diisopropyl ether-ethyl acetate (4:1) to give the title compound as colorless crystals (yield 680 mg, 82percent). 1H-NMR (CDCl3)delta: 6.68 (1H, d, J=1.8 Hz), 6.99-7.05 (1H, m), 7.16-7.19 (2H, m), 7.35-7.39 (1H, m), 7.45-7.51 (1H, m), 7.69-7.73 (1H, m), 8.14 (1H, d, J=1.8 Hz), 8.58-8.59 (1H, m), 8.81-8.83 (1H, m), 9.91 (1H, s).
  • 3
  • [ 16133-25-8 ]
  • [ 881674-56-2 ]
  • [ 881677-11-8 ]
YieldReaction ConditionsOperation in experiment
90.6% With dmap; N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20 - 50℃; for 2h; Take <strong>[881674-56-2]5-(2-fluorophenyl)-1H-pyrrole-3-carbaldehyde</strong> 300 g, 4-dimethylaminopyridine 37.5 g, N,N-diisopropylethylamine 300 g, 1L acetonitrile, and add to the reaction flask.300 g of pyridine-3-sulfonyl chloride was dissolved in 1L of acetonitrile, and added dropwise to the above reaction system at 20-30[deg.] C., and the addition was completed in about 1 hour.After the dripping, the system was heated to 40-50C, and the reaction was continued for 1 hour until the raw material was consumed completely.The system was cooled down to 30 C., and 1.8 L of purified water was added to quench the reaction. The pH was adjusted to 4 to 5 with 0.5 mol/L HCl, and a yellow solid precipitated.To the system, 3.6 L of purified water was added and stirred at 0 to 10C for 1 hour.After suction filtration, the filter cake was washed with 900 ml of acetonitrile: purified water (1:2) and 900 ml of purified water, and dried under reduced pressure at 50 C. to obtain 475 g of a brown powdery solid with a yield of 90.6%.
88.7% With dmap; triethylamine; In acetonitrile; at 45℃; for 1.5h; Example 1 (chlorobenzene solvent) 5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde (0141) Pyridine-3-sulfonic acid (10.7 g, 68.5 mmol) and phosphorus pentachloride (15.7 g, 75.4 mmol) were suspended in chlorobenzene (15 mL) at room temperature. After heating and stirring at an inside temperature of 105±5C for about 3 hr, the mixture was cooled to room temperature. Toluene (50 mL) and water (30 mL) were added into another kolben, and the mixture was cooled to an inside temperature of 5±5C. The reaction solution was added dropwise at not more than an inside temperature of 15C, and the dropping funnel was washed well with a mixed solution of toluene and water (1:1, 20 mL). After cooling to an inside temperature of 5±5C, 50% aqueous potassium carbonate solution (39 mL) was added dropwise at not more than an inside temperature of 20C, and the mixture was adjusted to pH 7.5±0.5. After partitioning at room temperature, the organic layer was washed with 5% brine (40 mL), and concentrated to about 20 mL under reduced pressure. Toluene (40 mL) was added and the mixture was concentrated again to about 20 mL. An operation of adding acetonitrile (40 mL) and concentrating the mixture to about 20 mL was repeated three times to give an acetonitrile solution of pyridine-3-sulfonylchloride (quantified yield 10.7 g, 87.9%, total amount 20.3 g, 52.7 w/w% acetonitrile solution). (0142) To the acetonitrile solution (total amount) of pyridine-3-sulfonylchloride obtained above were added acetonitrile (45 mL), <strong>[881674-56-2]5-(2-fluorophenyl)-1H-pyrrole-3-carbaldehyde</strong> (10.0 g, 52.9 mmol), N,N-dimethylpyridin-4-amine (0.646 g, 5.29 mmol) and triethylamine (10.4 mL, 74.1 mmol), and the mixture was heated to an inside temperature of 45±5C. After stirring at an inside temperature of 45±5C for 1.5 hr, the mixture was cooled to room temperature, and water (30 mL) was added dropwise. The mixture was adjusted to pH 4 - 5 with 0.5M hydrochloric acid (about 20 mL). The seed crystal of the title compound was added and, after confirmation of crystal precipitation, water (60 mL) was added dropwise. After stirring at room temperature for 30 min and at 5±5C for 1 hr, the precipitated crystals were collected by filtration. The crystals were washed twice with a mixed solution of acetonitrile and water (1:2, 30 mL) cooled to 5±5C in advance, and dried at an outer temperature of 50C under reduced pressure to give the title compound (15.5 g, isolation yield 88.7%). 1H NMR (500 MHz, CDCl3) delta 6.68 (d, J = 1.6 Hz, 1H), 7.02 (dd, J = 8.2, 8.2 Hz, 1H), 7.14-7.19 (m, 2H), 7.38 (dd, J = 8.2, 4.9 Hz, 1H), 7.44-7.48 (m, 1H), 7.72 (ddd, J = 8.2, 2.5, 1.6 Hz, 1H), 8.17 (d, J = 1.9 Hz, 1H), 8.59 (d, J = 1.9 Hz, 1H), 8.82 (dd, J = 4.7, 1.6 Hz, 1H), 9.90 (s, 1H).
87.9% With dmap; N,N-diethyl-N-isopropylamine; In acetonitrile; at 15 - 50℃; for 3h;Large scale; Volonadezan Intermediate II 2.0Kg, N,N-dimethyl-4-aminopyridine 109g, Diethylisopropylamine 1.9Kg Acetonitrile 16L, pyridine-3-sulfonyl chloride 1.9Kg Acetonitrile 6L And then added dropwise at a temperature of 15C to 25C,After dripping, heat to 40C to 50C and stir for 3 hours.After cooling to 0 ~ 10 C, add 12 L of water dropwise, cool to 0 ~ 10 C, and stir for 1 hour.Filtration, drying at 40 C. to 50 C. (-0.08 to -1.0 MPa) for 8 to 12 hours gives Warnarazan Intermediate III 3.07 Kg with a yield of 87.9%, which is directly input to the next step.
87% With dmap; N-ethyl-N,N-diisopropylamine; In acetonitrile; at 40 - 50℃; for 1h; 5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde (7.0 g, 37.00 mmol), N,N-dimethylpyridine-4-amine (0.902 g, 7.38 mmol), diisopropylethylamine (6.69 g, 51.80 mmol) and acetonitrile (28 mL) were added to a four-necked flask, then pyridine-3-sulfonyl chloride (7.89 g, 44.42 mmol) was added dropwise, and the mixture was washed well with acetonitrile (3.5 mL). The mixture was stirred at an inside temperature of 40-50 C. for about 1 hr, and cooled to an inside temperature of 25-35 C., and water (21 mL) was added dropwise at the same temperature. Then the mixture was adjusted to pH 4-5 at room temperature with 0.5N hydrochloric acid (8 mL), and water (41 mL) was added dropwise at room temperature. After stirring at room temperature for 30 min, the inside temperature was cooled to 0-10 C., and the mixture was stirred for 1 hr. The precipitated crystals were collected by filtration, washed with acetonitrile (14 mL)/water (28 mL) cooled to 5 C., and dried under reduced pressure at 50 C. until a constant weight was reached to give the title compound (10.6 g, yield 87.0%). 1H-NMR (CDCl3, TMS, 500 MHz) delta (ppm): 6.68 (d, J=1.6 Hz, 1H), 7.02 (dd, J=8.2, 8.2 Hz, 1H), 7.14-7.19 (m, 2H), 7.38 (dd, J=8.2, 4.9 Hz, 1H), 7.44-7.48 (m, 1H), 7.72 (ddd, J=8.2, 2.5, 1.6 Hz, 1H), 8.17 (d, J=1.9 Hz, 1H), 8.59 (d, J=1.9 Hz, 1H), 8.82 (dd, J=4.7, 1.6 Hz, 1H), 9.90 (s, 1H).
86.7% With N-ethyl-N,N-diisopropylamine;dmap; In acetonitrile; at 40 - 50℃; for 1.5h; Example 4 5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde 5-(2-Fluorophenyl)-1H-pyrrole-3-carbaldehyde (5.00 g, 26.43 mmol), N,N-dimethylpyridin-4-amine (0.65 g, 5.29 mmol), diisopropylethylamine (4.78 g, 37.00 mmol) and acetonitrile (18.5 ml) were added in a four neck flask, and a solution of pyridine-3-sulfonyl chloride (5.63 g, 31.71 mmol) in acetonitrile (5 ml) was added. Acetonitrile (1.5 ml) was further added, and the mixture was stirred at the internal temperature of 40-50 C. for 1.5 hr. The internal temperature was cooled to 30 C., and water (15 ml) was added dropwise. The mixture was adjusted to pH 4-5 with 0.5 N hydrochloric acid. Seed crystals (2.5 mg) of the title compound were added, and then water (about 30 ml) was added dropwise. After stirring at the internal temperature of 20-30 C. for 0.5 hr, the internal temperature was cooled to 0-10 C., and the mixture was stirred for 1 hr. The precipitated crystals were collected by filtration, washed with a cold mixed solution of acetonitrile and water (1:2, 7.5 ml), and water (7.5 ml*2), and dried under reduced pressure at 50 C. until a constant weight was reached to give the title compound (7.57 g, yield 86.7%). 1H-NMR (300 MHz, CDCl3) delta (ppm): 6.68 (d, J=1.7 Hz, 1H), 7.01-7.05 (m, 1H), 7.16-7.18 (m, 2H), 7.37-7.40 (m, 1H), 7.45-7.51 (m, 1H), 7.69-7.72 (m, 1H), 8.15 (d, J=1.8 Hz, 1H), 8.58 (d, J=1.7 Hz, 1H), 8.82 (dd, J=4.8, 1.5 Hz, 1H), 9.90 (s, 1H). elemental analysis (C16H11N2O3SF). Calculated: C, 58.17; H, 3.36; N, 8.48; O, 14.53; S, 9.71; F, 5.75.Found: C, 58.32; H, 3.46; N, 8.54; S, 9.76; F, 5.62.melting point 106-108 C.
86.6% With dmap; triethylamine; In dichloromethane; for 2h; 10.00 g of <strong>[881674-56-2]5-(2-fluorophenyl)-1H-pyrrole-3-carbaldehyde</strong>, 1.29 g of 4-dimethylaminopyridine (DMAP), 7.49 g of triethylamine, and 1 L of dichloromethane were put into the reactor, and the temperature was reduced by stirring. 11.26 g of pyridine-3-sulfonyl chloride was added dropwise, and the reaction was stirred for 2 hours after the dropwise addition.Add water 20ml quench reaction, followed by 20ml of water, the mass percentage concentration of 20% sodium chloride solution 20ml washing, distillation, add 70ml 75% ethanol solution to heat the solution, cooling crystallization, filtration, washing, drying to obtain 1-(3- Pyridinesulfonyl)-<strong>[881674-56-2]5-(2-fluorophenyl)-1H-pyrrole-3-carbaldehyde</strong> 15.12 g.Yield 86.60%.
86.0% With dmap; triethylamine; In acetonitrile; at 50℃;Large scale; Add 2.5kg of 5- (2-fluorophenyl) -1H-pyrrole-3-formaldehyde to a clean 50L reaction kettle,4-dimethylaminopyridine 0.323kg, triethylamine 1.60kg and acetonitrile 7.31kg,A solution of pyridine-3-sulfonyl chloride in acetonitrile was added dropwise with stirring (2.82 kg of pyridine-3-sulfonyl chloride was added with 2.0 kg of acetonitrile). After the dropwise addition was completed, the temperature was raised to 50 C, and the reaction was kept warm.The reaction progress was monitored by TLC (developing agent: PE: EA = 2: 1). After the reaction was completed, the temperature was lowered to 25 C, and 7.5 kg of purified water was added dropwise.Add 0.5 mol / L hydrochloric acid dropwise to adjust the pH of the system to 4, and then dropwise add 15.0 kg of purified water, stir at 25 C for 0.5h, lower the temperature to 10 C, and stir for 1h.After filtration, the filter cake was rinsed with a mixed solution of 1.0 kg of acetonitrile and 2.5 kg of purified water and 7.5 kg of purified water.Drying gave 5- (2-fluorophenyl) -1- (pyridin-3-ylsulfonyl) -1H-pyrrole-3-carboxaldehyde 3.75 kg with a yield of 86.0%.
78.39% With dmap; triethylamine; In dichloromethane; at 10 - 35℃; for 3h; Put 50.03 g of 5- (2-fluorophenyl) -1H-pyrrole-3-carboxaldehyde into the reaction tank, and add 6.47 g of 4-N, N-dimethylaminopyridine (DMAP), 37.78 g of triethylamine, and dichloro 250 ml of methane, stirred, 56.41 g of pyridine-3-sulfonyl chloride was added dropwise at an internal temperature of 10 to 35 C, and the internal temperature was maintained at 20 ± 5 C after the dropwise reaction. The TLC was monitored to 5- (2-fluorophenyl) -1H-pyrrole- 3- After the basic reaction of formaldehyde is complete (about 3h), add stirring to quench the reaction, separate the liquid, wash it once with water, evaporate to a distillate under reduced pressure, add 90% ethanol, heat, dissolve at reflux for 30min, cool down, and internal temperature 0 Stir and crystallize at -5 C for 2h, filter, wash with 50% ethanol solution, drain, dry at 60-80 C for 3h, weigh to obtain 5- (2-fluorophenyl) -1- (pyridin-3-ylsulfonyl) 68.48 g of -1H-pyrrole-3-carboxaldehyde, yield 78.39%.
68% With lithium hexamethyldisilazane; In tetrahydrofuran; at 0 - 20℃; for 1.08h; 200 mg of intermediate VI-1 was dissolved in 15 ml of anhydrous tetrahydrofuran, and the temperature was lowered to 0 C, then 1.3 ml of 1 M bistrimethylsilylamide lithium was added dropwise, and the reaction was continued at 0 C after the addition was completed. After a minute, 213 mg of pyridine-3-sulfonyl chloride was further added, followed by incubation at 0 C for 5 minutes, and then the reaction was continued to room temperature for 1 hour. After completion of the reaction, the reaction was quenched by the addition of sodium hydrogen carbonate solution, and the mixture was evaporated to dryness. column chromatography to give the compound of formula VII-1, 237 mg of a white solid, yield 68%
15.5 g With dmap; N-ethyl-N,N-diisopropylamine; In acetonitrile; at 40 - 50℃; for 2h; Acetonitrile (50 ml) was added to the reaction flask at room temperature,5- (2-fluorophenyl) -1H-pyrrole-3-carbaldehyde (10 g)4-dimethylaminopyridine (1.3 g)And N, N-diisopropylethylamine (13 g),40 ~ 50 stirring reaction 2 hours after the thin layer chromatography to complete the reaction.Adding 1mol / L hydrochloric acid solution to the reaction system to adjust pH = 4 ~ 5,Add water (60ml) and stir.filter,dry,To give 5- (2-fluorophenyl) -1 - [(pyridin-3-yl) sulfonyl] -1H-pyrrole-3-carbaldehyde(15.5 g, yellow solid).
15 g With triethylamine; In acetonitrile; at 45℃; for 1.5h; 5- (2-fluorophenyl) pyrrole-3-carbaldehyde 10g, 4- dimethylaminopyridine 1.3g, triethylamine 7.5g and acetonitrile (40ml) added to the reaction flask, stirred at room temperature; pyridine-3-sulfonyl chloride 11.3g and acetonitrile (10ml), the reaction flask was added dropwise; the reaction was heated to 45 1.5 hours; cooled to 25 , was added water (30ml); the system with concentrated hydrochloric acid adjusted to ph 4-5, stirred for half an hour at 25 deg.] C; was cooled to 0-5 deg.] C stirred for 1 hour; the filter cake with acetonitrile: water (1: 2) 30ml rinsed again with water (20ml) was rinsed 2 times, 50 deg.] C and dried in vacuo to give 5- (2-fluorophenyl yl) -1- (pyridin-3-sulfonyl) pyrrole-3-carbaldehyde 15g;
0.83 mol With dmap; sodium carbonate; In acetonitrile; at 60℃; for 5h; Weigh 1 mol of pyridine-3 sulfonyl chloride and 1 mol of <strong>[881674-56-2]5-(2-fluorophenyl)-1H-pyrrole-3-carbaldehyde</strong> in an appropriate amount of acetonitrile solvent, and add 1 mol of an acid-binding agent, and the acid-binding agent is DMAP and The composition of sodium carbonate was uniformly stirred, heated to 60 C, and the temperature was raised to 1 C / min. The temperature was raised to 60 C and then incubated for 5 hours to carry out a nucleophilic substitution reaction. The reaction formula of the nucleophilic substitution reaction is as follows: As shown in the above reaction formula, the product of the nucleophilic substitution reaction is 5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde, said 5-(2- Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde is still present in the acetonitrile solvent. Next, the mixture after the above nucleophilic substitution reaction was allowed to stand for 3 h, and gradually cooled to room temperature.The mixture will undergo crystallization during the cooling process to form a solid-liquid mixture, and then the filtration operation is performed.The solid obtained after filtration is the nucleophilic substitution reaction product 5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde.It was dried, weighed, and converted to obtain 0.83 mol of 5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrole-3-carbaldehyde.

  • 4
  • [ 881674-56-2 ]
  • [ 881677-11-8 ]
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1-(5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl)-N-methylmethanamine xfumarate

Similarity: 0.78

Chemical Structure| 109113-39-5

[ 109113-39-5 ]

1-(Phenylsulfonyl)-1H-pyrrolo[3,2-c]pyridine

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Chemical Structure| 80360-20-9

[ 80360-20-9 ]

1-(Phenylsulfonyl)-1H-indole-3-carbaldehyde

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Chemical Structure| 24310-36-9

[ 24310-36-9 ]

1-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydrobenzo[b]azepin-5-one

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Chemical Structure| 1265231-91-1

[ 1265231-91-1 ]

3-(Dimethylamino)-2-(1-(phenylsulfonyl)-1H-indole-2-carbonyl)acrylonitrile

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Related Parent Nucleus of
[ 881677-11-8 ]

Pyrroles

Chemical Structure| 2098974-13-9

[ 2098974-13-9 ]

1-(5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl)-N-methylmethanamine xfumarate

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Chemical Structure| 106058-85-9

[ 106058-85-9 ]

1-(1-Tosyl-1H-pyrrol-3-yl)ethanone

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Chemical Structure| 916177-00-9

[ 916177-00-9 ]

(5-(Methoxycarbonyl)-1-tosyl-1H-pyrrol-3-yl)boronic acid

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Chemical Structure| 17639-64-4

[ 17639-64-4 ]

1-Tosyl-1H-pyrrole

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Chemical Structure| 99740-00-8

[ 99740-00-8 ]

(S)-5-Phenyl-1H-pyrrol-3-yl 2-(4-methylphenylsulfonamido)propanoate

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Pyridines

Chemical Structure| 2098974-13-9

[ 2098974-13-9 ]

1-(5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl)-N-methylmethanamine xfumarate

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Chemical Structure| 173528-92-2

[ 173528-92-2 ]

(E)-4-Methoxy-N-(2-(2-(pyridin-4-yl)vinyl)phenyl)benzenesulfonamide

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Chemical Structure| 1276110-06-5

[ 1276110-06-5 ]

Ethyl 6-(5-(phenylsulfonamido)pyridin-3-yl)imidazo[1,2-a]pyridine-3-carboxylate

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Chemical Structure| 72811-73-5

[ 72811-73-5 ]

4-(m-Tolylamino)pyridine-3-sulfonamide

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Chemical Structure| 940943-37-3

[ 940943-37-3 ]

S-(2-(6-(4-(3-(Dimethylamino)propoxy)phenylsulfonamido)pyridin-3-yl)-2-oxoethyl) ethanethioate

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; ;