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[ CAS No. 337957-59-2 ] {[proInfo.proName]}

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Chemical Structure| 337957-59-2
Chemical Structure| 337957-59-2
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Product Details of [ 337957-59-2 ]

CAS No. :337957-59-2 MDL No. :MFCD03426978
Formula : C11H10N2O Boiling Point : -
Linear Structure Formula :- InChI Key :LFWZUGUMUQRWIU-UHFFFAOYSA-N
M.W : 186.21 Pubchem ID :820137
Synonyms :

Calculated chemistry of [ 337957-59-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 11
Fraction Csp3 : 0.09
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 53.92
TPSA : 34.89 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.21 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.9
Log Po/w (XLOGP3) : 1.72
Log Po/w (WLOGP) : 1.99
Log Po/w (MLOGP) : 1.36
Log Po/w (SILICOS-IT) : 2.12
Consensus Log Po/w : 1.82

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.53
Solubility : 0.553 mg/ml ; 0.00297 mol/l
Class : Soluble
Log S (Ali) : -2.07
Solubility : 1.59 mg/ml ; 0.00854 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.26
Solubility : 0.101 mg/ml ; 0.000545 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.53

Safety of [ 337957-59-2 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 337957-59-2 ]

* 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 [ 337957-59-2 ]

[ 337957-59-2 ] Synthesis Path-Downstream   1~30

  • 1
  • [ 33513-42-7 ]
  • N-Eth-(Z)-ylidene-N'-p-tolyl-hydrazine [ No CAS ]
  • [ 337957-59-2 ]
YieldReaction ConditionsOperation in experiment
42% With trichlorophosphate at 90℃; for 3h;
  • 3
  • [ 337957-59-2 ]
  • [ 95-54-5 ]
  • [ 1373836-35-1 ]
YieldReaction ConditionsOperation in experiment
91% In ethanol for 4h; Reflux;
  • 4
  • [ 20518-17-6 ]
  • [ 100-97-0 ]
  • [ 337957-59-2 ]
YieldReaction ConditionsOperation in experiment
97.6% With trifluoroacetic acid for 12h; Reflux; chemoselective reaction;
  • 5
  • [ 826-81-3 ]
  • [ 337957-59-2 ]
  • [ 108-24-7 ]
  • [ 1612877-16-3 ]
YieldReaction ConditionsOperation in experiment
at 160℃; for 96h; Autoclave; General procedure for preparing (E)-2-(2-(1-aryl-1H-pyrazol-4-yl)vinyl)quinolin-8-ol General procedure: 5 mmol 1-Arylpyrazole-4-carbaldehyde, 5 mmol 2-methyl-8-hydroxyl quinoline and 20 mL acetic anhydride were stirred and sealed in a Teflon-lined stainless steel autoclave (25 mL), kept at 160 °C for 4 days and then cooled to room temperature. Resultant mixed solution was poured into 100 mL H2O, followed by extractionwith CH2Cl2 (3 50 mL) and rotary evaporation to remove solvent. As-separated crystalline precipitates were dissolved in 25 mL DMF, followed by dropwise addition of 20 mL of aqueous HCl (volume fraction: 36%) at 80 °C in a reaction period of 5 h. Then the reactants were allowed to react for additional 4 h after 25 mL of triethylamine was added dropwise. Upon completion of the reaction, the hot mixture was poured into ice water (250 mL) and stirred overnight, followed by extraction with CH2Cl2 (4 100 mL).The combined organic layers were washed with saturated NaCl solution and dried with anhydrous Na2SO4. Crude mixed products were obtained after residual solvent was evaporated under reduced pressure, and as-obtained crude products were purified by column chromatography (silica gel, ethyl acetate/petroleum ether).
  • 6
  • [ 337957-59-2 ]
  • [ 1612877-07-2 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 96 h / 160 °C / Autoclave 2: hydrogenchloride / N,N-dimethyl-formamide; water / 5 h / 80 °C 3: triethylamine / 4 h
  • 7
  • [ 20518-17-6 ]
  • [ 33513-42-7 ]
  • [ 337957-59-2 ]
YieldReaction ConditionsOperation in experiment
66.9 g Stage #1: N,N-dimethyl-formamide With trichlorophosphate at -5 - 0℃; for 0.5h; Stage #2: 1-(4-methylphenyl)-1H-pyrazole at 90℃; for 15h; 2.2 2) 1- (4-methylphenyl) lH-pyrazole-4-carbaldehyde Take 185ml (2.4mol) N, N- dimethylformamide in three 1000ml flask, mechanical stirring at ice bath temperature the reaction system was maintained at -5 -0 . 10min After dropping 225ml (2.4mol) of phosphorus oxychloride. After the addition was complete the reaction was continued 30min. After addition of 94.8g (0.6mol) 1- (4- methylphenyl) lH-pyrazole, the reaction temperature was raised to 90 deg.] C for 15 hours. After completion of the reaction was monitored by TLC, the reaction solution was poured into ice water, stirred, made basic with aqueous sodium carbonate, aqueous phase extracted with (3 × 150ml) and extracted with ethyl acetate, the combined organic phase was dried over anhydrous magnesium sulfate, filtered off solution. The residue was purified by column chromatography (eluent, ethyl acetate and petroleum ether, the volume ratio of 1: 5) was isolated as a white solid 66.9g.
16.5 g With trichlorophosphate at 0 - 110℃; for 10.5h; Inert atmosphere; 1.2 1-(p-tolyl)-1H-pyrazole-4-carbaldehyde POCI3 (87.29 g, 569.33 mmol, 5.0 equiv.) was slowly added to DMF (41.61 g, 569.33 mmol, 5.0 equiv.) at 0 to 10°C under nitrogen atmosphere. This was then stirred for 15 minutes. To this mixture, a solution of 1- (p-tolyl ) -IJJ-pyrazole (18.0 g, 113.86 mmol, 1.0 equiv.) in DMF (25 ml) was slowly added and the reaction mixture was then stirred at 0 to 10°C for 30 minutes. Then the resulting mixture was brought to room temperature and heated to 110°C for 10 h . After cooling to room temperature , the reaction mixture was slowly poured into distilled water and pH of the reaction mixture was made basic by adding 10% NaOH solution to it. The product was then extracted with ethyl acetate (3 x 100 mL) . The combined organic layer was washed with distilled water , dried over sodium sulfate, filtered and concentrated under reduced pressure to give a crude product. The crude product thus obtained was purified by column chromatography on silica gel with a mixture of ethyl acetate and n-hexane as an eluent to afford 1- (p-tolyl ) -lff-pyrazole-4-carbaldehyde as a light yellow solid (16.5 g, Yield 78%) . (0449) 1H NMR (CDC13) : 9.96 (s, 1H) , 8.39 (s, 1H) , 8.15 (s, 1H) , 7.59 (d, J= 8.4 Hz, 2H) , 7.30-7.29 (m, 2H) , 2.41 (s, 3H) ; MS (M+l) 187.13.
  • 8
  • [ 337957-59-2 ]
  • [ 851180-85-3 ]
YieldReaction ConditionsOperation in experiment
86.1% With sodium tetrahydroborate; ethanol at 20℃; Cooling with ice; 2.3 3) Preparation of (1- (4-methylphenyl) lH-pyrazol-4-yl) methanol The 18.6g (0.1mol) 1- (4- methylphenyl) lH-pyrazole-4-carbaldehyde was dissolved in 150ml of absolute ethanol, under ice-cooling with stirring. To the reaction flask was added 5 minutes after portionwise 9.5g (0.25mol) of sodium borohydride, followed by reaction at room temperature for 4-6 hours. After completion of the reaction was monitored by TLC, most of the ethanol was distilled off under reduced pressure, stirring the reaction was poured into water, the aqueous phase with (3 × 50ml) and extracted with ethyl acetate, the combined organic phase was dried over anhydrous magnesium sulfate, filtered, exsolution. The residue was purified by column chromatography (eluent, ethyl acetate and petroleum ether, the volume ratio of 1: 2) to separate 16.2 g of a white solid, a yield of 86.1%.
75% With 3-chloro-benzenecarboperoxoic acid In chloroform for 4h; Inert atmosphere; Reflux; 1.3 1-(p-tolyl)-1H-pyrazole-4-ol m-Chloroperbenzoic acid (8.34 g, 48.36 mmol, 0.9 equiv.) was added to a solution of 1- (p-tolyl ) -lff-pyrazole-4-carbaldehyde (10.0 g, 53.74 mmol, 1.0 equiv.) in chloroform (500 mL) at room temperature under nitrogen atmosphere. The resulting mixture was refluxed for 4h. The reaction mixture was then cooled to room temperature, diluted with DCM (100 mL) , washed with sodium bicarbonate solution (3 x 100 mL) followed by distilled water (3 x 100 mL) , dried over sodium sulfate, filtered and concentrated under reduced pressure to give a crude product . Methanol (50 mL), distilled water (25 mL) , followed by concentrated HC1 (50 mL) was added to the crude product and then the reaction mixture was refluxed for lOh. After cooling to room temperature, all volatiles were distilled-off under reduced pressure . The pH of the reaction mixture was then made neutral by adding sodium bicarbonate solution and extracted with ethyl acetate (3 x 100 mL) . The combined organic layer was washed with distilled water , dried over sodium sulfate, filtered and concentrated under reduced pressure to give a crude product. The crude product thus obtained was purified by column chromatography on silica gel with a mixture of ethyl acetate and n-hexane as an eluent to afford 1- (p-tolyl ) -lJJ-pyrazol-4-ol as a light brown solid (7.0 g, Yield 75%) . (0452) NMR (CDC13) : 7.56 (s, 1H) , 7.46 (d, J= 8.4 Hz, 2H) , 7.41 (s, 1H) , 7.22 (d, J = 8.4 Hz, 2H) , 4.86 (bs, 1H) , 2.36 (s, 3H) ; MS (M+l) 175.13.
  • 9
  • [ 337957-59-2 ]
  • 4-(chloromethyl)-1-(4-methylphenyl)-1H-pyrazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: ethanol; sodium tetrahydroborate / 20 °C / Cooling with ice 2: thionyl chloride / toluene / Reflux
  • 10
  • [ 337957-59-2 ]
  • C16H15ClN4O [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: ethanol; sodium tetrahydroborate / 20 °C / Cooling with ice 2: thionyl chloride / toluene / Reflux 3: potassium carbonate / N,N-dimethyl-formamide / 100 °C
  • 11
  • [ 337957-59-2 ]
  • 1-(2-chlorobenzyl)-4-(((1-(p-tolyl)-1H-pyrazol-4-yl)oxy)methyl)-1H-1,2,3-triazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: 3-chloro-benzenecarboperoxoic acid / chloroform / 2 h / 60 - 70 °C 2.1: sodium hydride / tetrahydrofuran; N,N-dimethyl-formamide / 0.5 h / 0 °C 2.2: 0.5 h / 0 - 20 °C 3.1: copper(ll) sulfate pentahydrate; sodium L-ascorbate / <i>tert</i>-butyl alcohol; water / 2 h / 20 °C
  • 12
  • [ 337957-59-2 ]
  • 1-(2-bromobenzyl)-4-(((1-(p-tolyl)-1H-pyrazol-4-yl)oxy)methyl)-1H-1,2,3-triazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: 3-chloro-benzenecarboperoxoic acid / chloroform / 2 h / 60 - 70 °C 2.1: sodium hydride / tetrahydrofuran; N,N-dimethyl-formamide / 0.5 h / 0 °C 2.2: 0.5 h / 0 - 20 °C 3.1: copper(ll) sulfate pentahydrate; sodium L-ascorbate / <i>tert</i>-butyl alcohol; water / 2 h / 20 °C
  • 13
  • [ 337957-59-2 ]
  • 1-(4-methoxybenzyl)-4-(((1-(p-tolyl)-1H-pyrazol-4-yl)oxy)methyl)-1H-1,2,3-triazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: 3-chloro-benzenecarboperoxoic acid / chloroform / 2 h / 60 - 70 °C 2.1: sodium hydride / tetrahydrofuran; N,N-dimethyl-formamide / 0.5 h / 0 °C 2.2: 0.5 h / 0 - 20 °C 3.1: copper(ll) sulfate pentahydrate; sodium L-ascorbate / <i>tert</i>-butyl alcohol; water / 2 h / 20 °C
  • 14
  • [ 337957-59-2 ]
  • 3-(4-methoxybenzyl)-5-(((1-(p-tolyl)-1H-pyrazol-4-yl)oxy)methyl)isoxazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: 3-chloro-benzenecarboperoxoic acid / chloroform / 2 h / 60 - 70 °C 2.1: sodium hydride / tetrahydrofuran; N,N-dimethyl-formamide / 0.5 h / 0 °C 2.2: 0.5 h / 0 - 20 °C 3.1: triethylamine; sodium hypochlorite / dichloromethane / 0.5 h / 0 °C 3.2: 0 - 20 °C
  • 15
  • [ 337957-59-2 ]
  • [ 77458-34-5 ]
YieldReaction ConditionsOperation in experiment
91% With 3-chloro-benzenecarboperoxoic acid In chloroform at 60 - 70℃; for 2h; Step 1 General procedure: To a solution of 1,3-diphenylpyrazole-4-carboxaldehyde(1b, 10 g, 0.04mol) in chloroform (100mL) wasadded mCPBA (13.91 g, 0.08 mol) and the reaction mixturewas heated to 60-70 °C for 2 h. After completion of thereaction as followed by TLC, the reaction mixture was cooledto room temperature (RT) and washed with 10% Na2CO3solution (2×50mL) (to remove excess mCPBA). Theorganic layer was separated, dried over anhydrous sodiumsulphate and concentrated in vacuo to give 9.5 g of residue.
  • 16
  • [ 337957-59-2 ]
  • 4-(prop-2-yn-1-yloxy)-1-(p-tolyl)-1H-pyrazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: 3-chloro-benzenecarboperoxoic acid / chloroform / 2 h / 60 - 70 °C 2.1: sodium hydride / tetrahydrofuran; N,N-dimethyl-formamide / 0.5 h / 0 °C 2.2: 0.5 h / 0 - 20 °C
  • 17
  • [ 337957-59-2 ]
  • [ 1234174-16-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 3-chloro-benzenecarboperoxoic acid / chloroform / 4 h / Inert atmosphere; Reflux 2: caesium carbonate / N,N-dimethyl-formamide / 10 h / 70 °C / Inert atmosphere
  • 18
  • [ 337957-59-2 ]
  • [ 1234174-17-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 3-chloro-benzenecarboperoxoic acid / chloroform / 4 h / Inert atmosphere; Reflux 2: caesium carbonate / N,N-dimethyl-formamide / 10 h / 70 °C / Inert atmosphere 3: ammonium chloride; zinc / tetrahydrofuran; methanol; water / 2 h / 20 °C
  • 19
  • [ 337957-59-2 ]
  • 2,3-dimethyl-6-((1-(p-tolyl)-1H-pyrazol-4-yl)oxy)quinolin-4(1H)-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: 3-chloro-benzenecarboperoxoic acid / chloroform / 4 h / Inert atmosphere; Reflux 2: caesium carbonate / N,N-dimethyl-formamide / 10 h / 70 °C / Inert atmosphere 3: ammonium chloride; zinc / tetrahydrofuran; methanol; water / 2 h / 20 °C 4: toluene-4-sulfonic acid / 5,5-dimethyl-1,3-cyclohexadiene / 16 h / Inert atmosphere; Dean-Stark; Reflux
  • 20
  • [ 337957-59-2 ]
  • 2,3-dimethyl-6-((1-(p-tolyl)-1H-pyrazol-4-yl)oxy)quinolin-4-yl methyl carbonate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1.1: 3-chloro-benzenecarboperoxoic acid / chloroform / 4 h / Inert atmosphere; Reflux 2.1: caesium carbonate / N,N-dimethyl-formamide / 10 h / 70 °C / Inert atmosphere 3.1: ammonium chloride; zinc / tetrahydrofuran; methanol; water / 2 h / 20 °C 4.1: toluene-4-sulfonic acid / 5,5-dimethyl-1,3-cyclohexadiene / 16 h / Inert atmosphere; Dean-Stark; Reflux 5.1: potassium <i>tert</i>-butylate / tetrahydrofuran / 0.25 h / 20 °C / Inert atmosphere 5.2: 10 h / 20 °C
  • 21
  • [ 337957-59-2 ]
  • 2,3-dimethyl-6-((1-(p-tolyl)-1H-pyrazol-4-yl)oxy)quinolin-4-yl ethyl carbonate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1.1: 3-chloro-benzenecarboperoxoic acid / chloroform / 4 h / Inert atmosphere; Reflux 2.1: caesium carbonate / N,N-dimethyl-formamide / 10 h / 70 °C / Inert atmosphere 3.1: ammonium chloride; zinc / tetrahydrofuran; methanol; water / 2 h / 20 °C 4.1: toluene-4-sulfonic acid / 5,5-dimethyl-1,3-cyclohexadiene / 16 h / Inert atmosphere; Dean-Stark; Reflux 5.1: potassium <i>tert</i>-butylate / tetrahydrofuran / 0.25 h / 20 °C / Inert atmosphere 5.2: 10 h / 20 °C
  • 22
  • [ 337957-59-2 ]
  • C31H28N6 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: sodium hydroxide / ethanol / 12 h / 20 °C 2: hydrogenchloride / 8 h / 85 °C
  • 23
  • [ 337957-59-2 ]
  • C31H27FN6 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: sodium hydroxide / ethanol / 12 h / 20 °C 2: hydrogenchloride / 8 h / 85 °C
  • 24
  • [ 337957-59-2 ]
  • C31H27ClN6 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: sodium hydroxide / ethanol / 12 h / 20 °C 2: hydrogenchloride / 8 h / 85 °C
  • 25
  • [ 337957-59-2 ]
  • C32H30N6 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: sodium hydroxide / ethanol / 12 h / 20 °C 2: hydrogenchloride / 8 h / 85 °C
  • 26
  • [ 337957-59-2 ]
  • C31H25FN6 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: sodium hydroxide / ethanol / 12 h / 20 °C 2: hydrogenchloride / 8 h / 85 °C 3: Nitrate
  • 27
  • [ 337957-59-2 ]
  • [ 123-54-6 ]
  • C25H22N4O [ No CAS ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide In ethanol at 20℃; for 12h; 2.2.1. Synthesis of intermediates A1-A7 General procedure: 7.5 mmol of phenylpyrazole aldehyde with different substituents wasadded to 50 mL of absolute ethanol, and 11.25 mmol of acetylacetonewas added under stirring. Then 10 mL 35% NaOH solution was slowlyadded dropwise. After addition, the reaction mixture was stirred at roomtemperature for 12h. Then the mixture was allowed to fully stand stilland precipitate. After that, we adjusted the pH to neutral with 1 mol/LHCl, filtered and collected the filter residue. The crude products wererecrystallized with ethanol to obtain seven kinds of yellow solids, whichare intermediates A1-A7.
  • 28
  • [ 337957-59-2 ]
  • [ 613-94-5 ]
  • N’-((1-(p-tolyl)-1H-pyrazol-4-yl)methylene)benzohydrazide [ No CAS ]
YieldReaction ConditionsOperation in experiment
67.4% In methanol at 65℃; for 8h; Reflux; 2.3. General synthesis steps for A1-A4 , B1-B4, C1-C4 General procedure: Four compounds A 1 - A 4 were obtained by one-step reaction of equimolar benzoyl hydrazide (10 mmol) and phenylpyrazole alde- hyde (10 mmol) of different substituents in methanol (45 mL). The specific steps of the reaction were to stir the mixture at 65 °C and reflux it for 8 h. After the reaction was completed, it was naturally cooled to room temperature, washed with methanol, and the solids were extracted and filtered out. The obtained solids were recrystal- lized with methanol to gain the target products A 1 ,A 2 ,A 3 and A 4. Compounds B 1 - B 4 ,C 1 - C 4 were obtained by one-step reac- tion of isoniazid, nicotinic (10 mmol) and phenylpyrazolaldehyde (10 mmol) with different substituents in methanol (45 mL) so- lution. The specific steps of the reaction were to stir the mix- ture at 80 °C and reflux it for 12 h. After the reaction was com- pleted, it was naturally cooled to room temperature, washed with methanol, and the solids were extracted and filtered out. The ob- tained solids were recrystallized with methanol to get the target products B 1 ,B 2 ,B 3 , B 4 .and C 1 ,C 2 ,C 3 C 4 .
  • 29
  • [ 54-85-3 ]
  • [ 337957-59-2 ]
  • N’-((1-(p-tolyl)-1H-pyrazol-4-yl)methylene)isonicotinohydrazide [ No CAS ]
YieldReaction ConditionsOperation in experiment
71% In methanol at 80℃; for 12h; Reflux; 2.3. General synthesis steps for A1-A4 , B1-B4, C1-C4 General procedure: Four compounds A 1 - A 4 were obtained by one-step reaction of equimolar benzoyl hydrazide (10 mmol) and phenylpyrazole alde- hyde (10 mmol) of different substituents in methanol (45 mL). The specific steps of the reaction were to stir the mixture at 65 °C and reflux it for 8 h. After the reaction was completed, it was naturally cooled to room temperature, washed with methanol, and the solids were extracted and filtered out. The obtained solids were recrystal- lized with methanol to gain the target products A 1 ,A 2 ,A 3 and A 4. Compounds B 1 - B 4 ,C 1 - C 4 were obtained by one-step reac- tion of isoniazid, nicotinic (10 mmol) and phenylpyrazolaldehyde (10 mmol) with different substituents in methanol (45 mL) so- lution. The specific steps of the reaction were to stir the mix- ture at 80 °C and reflux it for 12 h. After the reaction was com- pleted, it was naturally cooled to room temperature, washed with methanol, and the solids were extracted and filtered out. The ob- tained solids were recrystallized with methanol to get the target products B 1 ,B 2 ,B 3 , B 4 .and C 1 ,C 2 ,C 3 C 4 .
  • 30
  • [ 553-53-7 ]
  • [ 337957-59-2 ]
  • N’-((1-(p-tolyl)-1H-pyrazol-4-yl)methylene)nicotinohydrazide [ No CAS ]
YieldReaction ConditionsOperation in experiment
71% In methanol at 80℃; for 12h; Reflux; 2.3. General synthesis steps for A1-A4 , B1-B4, C1-C4 General procedure: Four compounds A 1 - A 4 were obtained by one-step reaction of equimolar benzoyl hydrazide (10 mmol) and phenylpyrazole alde- hyde (10 mmol) of different substituents in methanol (45 mL). The specific steps of the reaction were to stir the mixture at 65 °C and reflux it for 8 h. After the reaction was completed, it was naturally cooled to room temperature, washed with methanol, and the solids were extracted and filtered out. The obtained solids were recrystal- lized with methanol to gain the target products A 1 ,A 2 ,A 3 and A 4. Compounds B 1 - B 4 ,C 1 - C 4 were obtained by one-step reac- tion of isoniazid, nicotinic (10 mmol) and phenylpyrazolaldehyde (10 mmol) with different substituents in methanol (45 mL) so- lution. The specific steps of the reaction were to stir the mix- ture at 80 °C and reflux it for 12 h. After the reaction was com- pleted, it was naturally cooled to room temperature, washed with methanol, and the solids were extracted and filtered out. The ob- tained solids were recrystallized with methanol to get the target products B 1 ,B 2 ,B 3 , B 4 .and C 1 ,C 2 ,C 3 C 4 .
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