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[ CAS No. 220239-66-7 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 220239-66-7
Chemical Structure| 220239-66-7
Chemical Structure| 220239-66-7
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Quality Control of [ 220239-66-7 ]

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Product Details of [ 220239-66-7 ]

CAS No. :220239-66-7 MDL No. :MFCD01320799
Formula : C7H5F3OS Boiling Point : -
Linear Structure Formula :- InChI Key :GEJGGOYNWFQKKH-UHFFFAOYSA-N
M.W : 194.17 Pubchem ID :2777357
Synonyms :

Calculated chemistry of [ 220239-66-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 2
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 40.38
TPSA : 48.03 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) : -5.18 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.16
Log Po/w (XLOGP3) : 3.25
Log Po/w (WLOGP) : 4.13
Log Po/w (MLOGP) : 2.57
Log Po/w (SILICOS-IT) : 2.67
Consensus Log Po/w : 2.95

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.33
Solubility : 0.091 mg/ml ; 0.000468 mol/l
Class : Soluble
Log S (Ali) : -3.93
Solubility : 0.0227 mg/ml ; 0.000117 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.14
Solubility : 0.141 mg/ml ; 0.000728 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.84

Safety of [ 220239-66-7 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P233-P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304-P304+P340-P305+P351+P338-P311-P312-P321-P322-P330-P332+P313-P337+P313-P340-P361-P362-P363-P403-P403+P233-P405-P501 UN#:2810
Hazard Statements:H301-H311-H315-H319-H331-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 220239-66-7 ]

* 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 [ 220239-66-7 ]

[ 220239-66-7 ] Synthesis Path-Downstream   1~42

  • 1
  • [ 220239-66-7 ]
  • [ 1091599-63-1 ]
  • [ 1091596-18-7 ]
YieldReaction ConditionsOperation in experiment
To a solution of 556 mg of <strong>[220239-66-7]3-(trifluoromethoxy)thiophenol</strong> in 15 ml of DMF was added 115 mg of 55% sodium hydride (oily) under ice-cooling, followed by stirring at the same temperature for 30 minutes, and then 600 mg of methyl 4-{2-[6-(bromomethyl)-3,5-dichloro-2-oxopyridin-1(2H)-yl]ethyl}benzoate was added thereto, followed by stirring at room temperature for 2 hours. Then, a saturated aqueous ammonium chloride solution and ethyl acetate were added thereto under ice-cooling to carry out a liquid separation operation. The organic layer was washed with a saturated aqueous sodium chloride solution and then dried over anhydrous sodium sulfate, and the solvent was evaporated under reduced pressure. The residue was purified by silica gel column chromatography to obtain 578 mg of a white solid of methyl 4-{2-[3,5-dichloro-2-oxo-6-([3-(trifluoromethoxy)phenyl]sulfanyl}methyl)pyridin-1(2H)-yl]ethyl}benzoate.
  • 2
  • [ 869347-51-3 ]
  • [ 220239-66-7 ]
  • [ 1268473-04-6 ]
  • 3
  • [ 220239-66-7 ]
  • [ 1276662-90-8 ]
  • [ 1276663-85-4 ]
YieldReaction ConditionsOperation in experiment
79% With triethylamine; In acetonitrile; for 16h;Reflux; K. General synthetic protocol for compounds with general structure (263)Exemplified by the synthesis of 1 -(3 -methyl-3-(3 -(trifluoromethyl)phenyhbutyl-sulfonyl)-3-(trifluoromethoxy)benzene (266)Kl. Preparation of ' (3-methyl-3-(3-(trifluoromethyl)phenylsulfonyl)butyl)(3- ( trifluoromethoxy ) -phenyl )sulfane (266)[00336] 3-Methyl-3-(3-(trifluoromethyl)phenylsulfonyl)butyl methanesulfonate (264) (250 mg, 0.75 mmol), 3-trifluoromethoxythiophenol (142 mg, 0.75 mmol) and TEA (152 μ, 1.5 mmol) were heated at reflux in MeCN for 16 hours. The reaction was concentrated in vacuo and the residue purified by automated columnchromatography (5 % EtOAc/PE) to give (3-methyl-3-(3-(trifluoromethyl)phenylsulfonyl)butyl)(3-(trifluoromethoxy)-phenyl)sulfane (280 mg, 79 %). The product was confirmed by LCMS.
  • 4
  • [ 220239-66-7 ]
  • [ 141699-59-4 ]
  • [ 1304787-68-5 ]
  • 5
  • [ 220239-66-7 ]
  • [ 141699-59-4 ]
  • [ 1304787-69-6 ]
  • 6
  • [ 220239-66-7 ]
  • N-(methylsulfonyl)-4-[3-(trifluoromethoxy)phenyl]sulfanyl}benzamide [ No CAS ]
  • 7
  • [ 220239-66-7 ]
  • [ 403-33-8 ]
  • [ 1354962-76-7 ]
YieldReaction ConditionsOperation in experiment
35% With caesium carbonate; In N,N-dimethyl-formamide; at 80℃; for 18h; To a stirred solution of methyl 4-fluorobenzoate (500 mg, 3.24 mmol) in dimethylformamide (5 mL) was added 3-trifluoromethoxythiophenol (565 mg, 2.91 mmol) and caesium carbonate (1.38 g, 4.24 mmol). The reaction mixture was heated at 80 C. for 18 hours, then diluted with water (30 mL) and extracted with ethyl acetate (3×30 mL). The extracts were combined, washed with water (3×30 mL), brine (2×30 mL), dried over Na2SO4 and evaporated in vacuo. The crude product was purified by silica gel column chromatography eluting with hexane:ethyl acetate (0-20%) to afford the title compound (300 mg, 35%).LCMS Rt=3.74 minutes, MS m/z 315 [MH]+
  • 8
  • [ 220239-66-7 ]
  • [ 403-33-8 ]
  • C14H8ClF3O2S [ No CAS ]
  • 9
  • [ 220239-66-7 ]
  • [ 1194-02-1 ]
  • [ 1362160-55-1 ]
YieldReaction ConditionsOperation in experiment
88% EXAMPLE 2 QN-f4-ff3-ftrifluoromethoxy)phenyl)sulfonyl)benzyl)imidazo[l,2-alpyrimidine- 6-carboxamidea: 4-(T3-rtrifluoromethoxy)phenyl)thio)benzonitrileTo a colorless solution of <strong>[220239-66-7]3-(trifluoromethoxy)benzenethiol</strong> (5.0 g, 25.8 mmol) in DMF (80 mL) was added K2CO3 (4.21 g, 30.4 mmol) forming a yellow mixture. To this mixture was added 4-fluorobenzonitrile (2.84 g, 23.4 mmol). The mixture was heated to 120 C for 16 h, cooled to room temperature, and diluted with IN NaOH and Et20. The layers were separated. The organic layer was washed sequentially with IN NaOH and brine, dried over Na2SC"4, and concentrated in vacuo. The residue was purified by Biotage SP1 to afford the desired product as colorless oil (6.09 g, 88% yield).1H NMR (300 MHz, CDC13): δ 8.8-8.06 (m, 2H), 7.89-7.80 (m, 2H), 7.78-7.82 (m, 2H), 7.61 (t, IH), 7.47 (d, 2H).LC-MS: 295.93 (M+H).
  • 10
  • [ 220239-66-7 ]
  • [ 1362160-57-3 ]
  • 11
  • [ 220239-66-7 ]
  • [ 1362160-59-5 ]
  • 12
  • [ 220239-66-7 ]
  • [ 1362150-36-4 ]
  • 13
  • [ 1110542-97-6 ]
  • [ 220239-66-7 ]
  • [ 1428566-16-8 ]
  • 14
  • [ 1029521-10-5 ]
  • [ 220239-66-7 ]
  • [ 1029521-03-6 ]
  • 15
  • [ 220239-66-7 ]
  • [ 350-46-9 ]
  • [ 1609560-86-2 ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; In dimethyl sulfoxide; at 100℃; for 2h; A solution of 3- (trifluoromethoxy)benzene- 1 -thiol (100 mg, 0.52 mmol, 1.00 equiv), l-fluoro-4-nitrobenzene (150 mg, 1.06 mmol, 2.06 equiv), and potassium carbonate (400 mg, 2.89 mmol, 5.62 equiv) in DMSO (10 mL) was stirred for 2 h at 100 C. The reaction mixture was diluted with 20 mL of brine and the resulting solution was extracted with 2x50 mL of EtOAc. The combined organic layers were dried over anhydrous sodium sulfate, filtered and concentrated under vacuum to give 0.15 g of the title compound as a light yellow solid. The crude product was used in the next step without further purification.
  • 17
  • [ 220239-66-7 ]
  • trans-2-(pyridin-3-yl)-N-(4-((3-(trifluoromethoxy)phenyl)sulfonyl)phenyl)cyclopropanecarboxamide [ No CAS ]
  • 19
  • [ 220239-66-7 ]
  • trans-2-(pyridin-3-yl)-N-(4-[[3-(trifluoromethoxy)benzene] sulfonyl]phenyl)cyclopropane-1-carboxamide [ No CAS ]
  • 20
  • [ 70336-36-6 ]
  • [ 220239-66-7 ]
  • C19H15F3O3S [ No CAS ]
  • 21
  • [ 220239-66-7 ]
  • 2-(4-chlorophenyl)tetrahydro-2H-pyran-4-yl methanesulfonate [ No CAS ]
  • 2-(4-chlorophenyl)-4-((3-(trifluoromethoxy)phenyl)thio)tetrahydro-2H-pyran [ No CAS ]
YieldReaction ConditionsOperation in experiment
94% With potassium carbonate; In acetonitrile; at 20 - 50℃; for 23h;Inert atmosphere; Step 4: 2-(4-Chlorophenyl)-4-((3-(trifluoromethoxy)phenyl)thio)tetrahvdro-2H-pyran To an argon flushed suspension of 2-(4-chlorophenyl)tetrahydro-2H-pyran-4-yl methanesulfonate (3571 mg, 12.28 mmol) and K2C03 (3395 mg, 24.56 mmol) in dry MeCN (35 mL), 3-(trifluoromethoxy)benzene- thiol (4885 mg, 25.2 mmol) was added and the RM was stirred at 50C for 5 h and subsequently for 18 h at RT. Subsequently, the RM was combined with a RM prepared in the same manner from 150 mg (0.52 mmol) of 2-(4-chlorophenyl)tetrahydro-2H-pyran-4-yl methanesulfonate, diluted with EtOAc (100 mL) and filtered over silica and sand. The residue was coated on silica and purified using flash chromatography (silica, gradient heptane//-Pr20, 1 :0→ 4: 1 ) to give 4.7 g (94%) of the desired product as a colorless oil.
  • 22
  • [ 220239-66-7 ]
  • 2-methyl-N-(4-nitro-2-(trifluoromethyl)phenyl)oxirane-2-carboxamide [ No CAS ]
  • 2-hydroxy-2-methyl-N-(4-nitro-2-(trifluoromethyl)phenyl)-3-(3-(trifluoromethoxy) phenylthio)propanamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
62% General procedure: To a mixture of NaH (60% in mineral oil, 0.050 g, 1.23 mmol) in anhydrous THF (2 mL) at 0 C under Ar atmosphere was added a solution of the differently substituted phenol or thiophenol (1.11 mmol) in 1 mL of anhydrous THF. This mixture was stirred at r.t. for 20 min. A solution of the different intermediate 17-21 (0.74 mmol) in anhydrous THF (3 mL) was added slowly. The reaction mixture was stirred at r.t. o.n. The mixture was then diluted with ethyl acetate (30 mL), washed with brine (15 mL) and water (30 mL), dried over Na2SO4 and concentrated under vacuum. The crude residue was purified by flash column chromatography.
  • 23
  • [ 220239-66-7 ]
  • 2-methyl-N-(4-(trifluoromethyl)phenyl)oxirane-2-carboxamide [ No CAS ]
  • 2-hydroxy-2-methyl-3-((3-(trifluoromethoxy)phenyl)thio)-N-(4-(trifluoromethyl)phenyl)propanamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
54% General procedure: To a mixture of NaH (60% in mineral oil, 0.050 g, 1.23 mmol) in anhydrous THF (2 mL) at 0 C under Ar atmosphere was added a solution of the differently substituted phenol or thiophenol (1.11 mmol) in 1 mL of anhydrous THF. This mixture was stirred at r.t. for 20 min. A solution of the different intermediate 17-21 (0.74 mmol) in anhydrous THF (3 mL) was added slowly. The reaction mixture was stirred at r.t. o.n. The mixture was then diluted with ethyl acetate (30 mL), washed with brine (15 mL) and water (30 mL), dried over Na2SO4 and concentrated under vacuum. The crude residue was purified by flash column chromatography.
  • 24
  • [ 220239-66-7 ]
  • N-(3,5-bis-(trifluoromethyl)phenyl)-2-methyloxirane-2-carboxamide [ No CAS ]
  • C19H14F9NO3S [ No CAS ]
YieldReaction ConditionsOperation in experiment
General procedure: To a mixture of NaH (60% in mineral oil, 0.050 g, 1.23mmol) in anhydrous THF (2 mL) at 0 C under Ar atmosphere was added a solutionof the differently substituted phenol or thiophenol (1.11 mmol) in 1 mL ofanhydrous THF. This mixture was stirred at r.t. for 20 min. A solution of thedifferent intermediate 18-23 (0.74 mmol)in anhydrous THF (3 mL) was added slowly. The reaction mixture was stirred atr.t. o.n. The mixture was then diluted with ethyl acetate (30 mL), washed withbrine (15 mL) and water (30 mL), dried over Na2SO4 andconcentrated under vacuum. The cruderesidue was purified by flash column chromatography.
  • 25
  • [ 220239-66-7 ]
  • 3-amino-5-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-2-carboxamide [ No CAS ]
  • 3-amino-5-(3-trifluoromethoxyphenylsulfanyl)pyridine-2-carboxylic acid (3,3,3-trifluoro-2-hydroxypropyl)amide [ No CAS ]
YieldReaction ConditionsOperation in experiment
With 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl acetamide; at 105℃; for 72h; 3-Amino-5-bromo-pyridine-2-carboxylic acid (3,3,3-trifluoro-2-hydroxy-propyl)-amide (Int 8, 200 mg, 0.61 mmol) was dissolved in DMA (1.20 mL) and DBU (273 µL, 0.18 mmol) and <strong>[220239-66-7]3-(trifluoromethoxy)thiophenol</strong> (CAS: 220239-66-7, 196 mg, 1 mmol) were added. The mixture was heated at 105 C for 72 h. The mixture was diluted with water and extracted with EtOAc. The combined organic fractions were concentrated to give 3-amino-5-(3- trifluoromethoxy-phenylsulfanyl)-pyridine-2-carboxylic acid (3,3,3-trifluoro-2-hydroxy-propyl)- amide that was used as such in the next step.
  • 26
  • [ 220239-66-7 ]
  • 3-amino-5-(3-trifluoromethoxybenzenesulfonyl)pyridine-2-carboxylic acid [ No CAS ]
  • 27
  • [ 220239-66-7 ]
  • 3-amino-5-(3-trifluoromethoxy-benzenesulfonyl)-pyridine-2-carboxylic acid N-(2-triisopropylsilanyloxyacetyl)hydrazide [ No CAS ]
  • 28
  • [ 220239-66-7 ]
  • 5-(3-trifluoromethoxy-benzenesulfonyl)-2-(5-triisopropylsilanyloxymethyl-[1,3,4]oxadiazol-2-yl)-pyridin-3-ylamine [ No CAS ]
  • 29
  • [ 220239-66-7 ]
  • (5-{3-amino-5-[3-(trifluoromethoxy)benzene-1-sulfonyl]pyridin-2-yl}-1,3,4-oxadiazol-2-yl)methanol [ No CAS ]
  • 30
  • [ 870997-85-6 ]
  • [ 220239-66-7 ]
  • 3-amino-5-(3-trifluoromethoxyphenylsulfanyl)pyridine-2-carboxylic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
783 mg With 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl acetamide; at 150℃; for 0.75h;Microwave irradiation; A solution of <strong>[870997-85-6]3-amino-5-bromo-pyridine-2-carboxylic acid</strong> (CAS: 870997-85-6, 500 mg, 2.3 mmol), 3-(trifluoromethoxy) benzenethiol (CAS: 220239-66-7, 534 mg, 2.76 mmol) and 1,8-diazabicyclo[5.4.0]undec-7-ene (0.344 mL, 2.3 mmol) was prepared in N,N-dimethylacetamide (2 mL). The mixture was heated at 150 C. for 45 minutes in a microwave reactor (Biotage, SW version 2.2). Water was added and the mixture was extracted with ethyl acetate. The organic layer was washed with saturated aqueous NaHCO3, dried (Na2SO4), filtered, and concentrated to provide 783 mg of the titled compound.
  • 31
  • [ 220239-66-7 ]
  • C54H44O8S4 [ No CAS ]
  • C56H42F6O4S4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
56% With sodium carbonate; In N,N-dimethyl-formamide; at 80℃; for 12h;Inert atmosphere; The compound (9.5 g, 10 mmol) represented by the formula (2-62) and sodium carbonate (2.1 g) were added to N, N-dimethylformamide (100 ml) under a nitrogen atmosphere, Was added 3- (trifluoromethyloxy) thiophenol (4.85 g, 25 mmol), and the mixture was stirred at 80 C. for 12 hours.After cooling the reaction mixture to room temperature, water (100 ml) was added, and the precipitated solid was filtered and washed with water. This solid was dried at 50 C. for 24 hours and then separated by silica gel column chromatography [eluent: toluene / n-hexane (3: 1 by volume ratio)], then toluene and n-hexane were distilled Removal gave 5.6 g of the compound of Exemplary Compound No. 62 as a red purple solid. Yield 56%
  • 32
  • [ 220239-66-7 ]
  • triphenyl(2-phenylpyridin-4-yl)phosphonium trifluoromethanesulfonate [ No CAS ]
  • 2-phenyl-4-((3-(trifluoromethoxy)phenyl)thio)pyridine [ No CAS ]
  • 33
  • [ 220239-66-7 ]
  • [ 90357-53-2 ]
  • N-(4-cyano-3-(trifluoromethyl)phenyl)-2-methyl-3-((3-(trifluoromethoxy)phenyl)thio) propanamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
47% General procedure: To a mixture of 60% sodiumhydride in mineral oil (94.43 mg, 2.36 mmol) in anhydrous tetrahydrofuran(5 mL) at 0 C under anhydrous THF under nitrogenatmosphere, was added dropwise the corresponding thiophenol10-13 (2.05 mmol). This mixture was stirred at room temperaturefor 20 min. A solution of the appropriate intermediate 6-9(1.57 mmol in 5mL anhydrous tetrahydrofuran) was added slowlyto the thiophenol mixture and stirred at room temperature for 24 h.The mixture was concentrated under vacuum then diluted withethyl acetate (30 mL), washed with brine (20 mL) and water(30 mL), dried over anhydrous sodium sulfate and concentratedunder vacuum. The crude residue was purified by column chromatographyeluting with chloroform-ethyl acetate graduallyincreasing from 95:5 to 90:10 v/v.
  • 34
  • [ 220239-66-7 ]
  • N-(4-(pentafluorosulfanyl)phenyl)-2-methyloxirane-2-carboxamide [ No CAS ]
  • N-(4-(pentafluorosulfanyl)phenyl)-3-((3-(trifluoromethoxy)phenyl)thio)-2-hydroxy-2-methylpropanamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
54% General procedure: To a mixture of NaH (60% in mineral oil, 0.050 g, 1.23 mmol) inanhydrous THF (2 mL) at 0 C under Ar atmosphere was added asolution of the differently substituted phenol or thiophenol(1.11 mmol) in 1mL of anhydrous THF. This mixture was stirred atr.t. for 20 min. A solution of the different intermediate 24e32(0.74 mmol) in anhydrous THF (3 mL) was added slowly. The reactionmixture was stirred at r.t. overnight. The mixture was thendiluted with ethyl acetate (30 mL), washed with brine (15 mL),water (30 mL), and dried over Na2SO4 and concentrated undervacuum. The crude residue was purified by flash column chromatographyor via Biotage Isolera 1.
  • 35
  • [ 220239-66-7 ]
  • N-(3-(pentafluorosulfanyl)phenyl)-2-methyloxirane-2-carboxamide [ No CAS ]
  • N-(3-(pentafluorosulfanyl)phenyl)-3-((3-(trifluoromethoxy)phenyl)thio)- 2-hydroxy-2-methylpropanamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
52% General procedure: To a mixture of NaH (60% in mineral oil, 0.050 g, 1.23 mmol) inanhydrous THF (2 mL) at 0 C under Ar atmosphere was added asolution of the differently substituted phenol or thiophenol(1.11 mmol) in 1mL of anhydrous THF. This mixture was stirred atr.t. for 20 min. A solution of the different intermediate 24e32(0.74 mmol) in anhydrous THF (3 mL) was added slowly. The reactionmixture was stirred at r.t. overnight. The mixture was thendiluted with ethyl acetate (30 mL), washed with brine (15 mL),water (30 mL), and dried over Na2SO4 and concentrated undervacuum. The crude residue was purified by flash column chromatographyor via Biotage Isolera 1.
  • 36
  • [ 220239-66-7 ]
  • (4-(4-bromobenzoyl)piperidin-1-yl)(2-fluoro-5-methoxyphenyl)methanone [ No CAS ]
  • (1-(2-fluoro-5-methoxybenzoyl)piperidin-4-yl) (4-((3-(trifluoromethoxy)phenyl)thio)phenyl)methanone [ No CAS ]
YieldReaction ConditionsOperation in experiment
99% With tris-(dibenzylideneacetone)dipalladium(0); potassium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; at 120℃; for 24h;Sealed tube; Inert atmosphere; General procedure: A sealed vial was charged with K2CO3 (1 equiv), compound 11 orcompound 1 (200 mg, 1 equiv), Pd2(dba)3 (0.1 equiv), Xantphos(0.11 equiv), anhydrous toluene (9.7 mL for 0.645 mmol of startingmaterial), and commercially available substituted thiophenol (1.25equiv). After purging with argon, the resulting mixture was thenheated at 120 C for 24 h. After cooling to room temperature, themixture was filtered through a small pad of Celite, washed withethyl acetate and concentrated under vacuum. The crude productwas purified by silica gel chromatography (eluent mixtures of nhexane/diethyl ether, n-hexane/EtOAc, CH2Cl2/MeOH) to afford theexpected products.
  • 37
  • [ 220239-66-7 ]
  • (4-(4-bromobenzoyl)piperidin-1-yl)(2-fluoro-5-methoxyphenyl)methanone [ No CAS ]
  • (1-(2-fluoro-5-hydroxybenzoyl)piperidin-4-yl)(4-((3-(trifluoromethoxy)phenyl)thio)phenyl)methanone [ No CAS ]
  • 38
  • [ 66309-71-5 ]
  • [ 220239-66-7 ]
  • 1-(4-(4-((3-(trifluoromethoxy)phenyl)thio)benzoyl)piperidin-1-yl)ethanone [ No CAS ]
YieldReaction ConditionsOperation in experiment
58% With tris-(dibenzylideneacetone)dipalladium(0); potassium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; at 120℃; for 24h;Sealed tube; Inert atmosphere; General procedure: A sealed vial was charged with K2CO3 (1 equiv), compound 11 orcompound 1 (200 mg, 1 equiv), Pd2(dba)3 (0.1 equiv), Xantphos(0.11 equiv), anhydrous toluene (9.7 mL for 0.645 mmol of startingmaterial), and commercially available substituted thiophenol (1.25equiv). After purging with argon, the resulting mixture was thenheated at 120 C for 24 h. After cooling to room temperature, themixture was filtered through a small pad of Celite, washed withethyl acetate and concentrated under vacuum. The crude productwas purified by silica gel chromatography (eluent mixtures of nhexane/diethyl ether, n-hexane/EtOAc, CH2Cl2/MeOH) to afford theexpected products.
  • 39
  • [ 220239-66-7 ]
  • piperidin-4-yl(4-((3-(trifluoromethoxy)phenyl)thio)phenyl)methanone [ No CAS ]
  • 40
  • [ 220239-66-7 ]
  • (1-(3-methoxybenzoyl)piperidin-4-yl)(4-((3-(trifluoromethoxy)phenyl)thio)phenyl)methanone [ No CAS ]
  • 41
  • [ 220239-66-7 ]
  • (1-(3-hydroxybenzoyl)piperidin-4-yl)(4-((3-(trifluoromethoxy)phenyl)thio)phenyl)methanone [ No CAS ]
  • 42
  • [ 33050-32-7 ]
  • [ 220239-66-7 ]
  • 6-[3-(trifluoromethoxy)phenyl]sulfanyl-2H-[1,2,4]triazolo[4,3-b]-pyridazin-3-one [ No CAS ]
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Trifluoromethyls

Chemical Structure| 175278-01-0

[ 175278-01-0 ]

2-(Trifluoromethoxy)benzenethiol

Similarity: 0.87

Chemical Structure| 2546-45-4

[ 2546-45-4 ]

Methyl(4-(trifluoromethoxy)phenyl)sulfane

Similarity: 0.87

Related Parent Nucleus of
[ 220239-66-7 ]

Thiophenols

Chemical Structure| 175278-01-0

[ 175278-01-0 ]

2-(Trifluoromethoxy)benzenethiol

Similarity: 0.87