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[ CAS No. 886536-37-4 ] {[proInfo.proName]}

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Chemical Structure| 886536-37-4
Chemical Structure| 886536-37-4
Structure of 886536-37-4 * Storage: {[proInfo.prStorage]}
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Product Details of [ 886536-37-4 ]

CAS No. :886536-37-4 MDL No. :MFCD09027239
Formula : C8H8BF3O3 Boiling Point : -
Linear Structure Formula :- InChI Key :DWRAMTYYMNLVBD-UHFFFAOYSA-N
M.W : 219.95 Pubchem ID :43145300
Synonyms :

Calculated chemistry of [ 886536-37-4 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.25
Num. rotatable bonds : 4
Num. H-bond acceptors : 6.0
Num. H-bond donors : 2.0
Molar Refractivity : 47.76
TPSA : 49.69 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.29 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.91
Log Po/w (WLOGP) : 1.57
Log Po/w (MLOGP) : 0.8
Log Po/w (SILICOS-IT) : 0.2
Consensus Log Po/w : 0.9

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.44
Solubility : 0.8 mg/ml ; 0.00364 mol/l
Class : Soluble
Log S (Ali) : -2.58
Solubility : 0.583 mg/ml ; 0.00265 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.33
Solubility : 1.04 mg/ml ; 0.00471 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.65

Safety of [ 886536-37-4 ]

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

Application In Synthesis of [ 886536-37-4 ]

* 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 [ 886536-37-4 ]

[ 886536-37-4 ] Synthesis Path-Downstream   1~22

YieldReaction ConditionsOperation in experiment
90% With isopropylmagnesium chloride; In 2-methyltetrahydrofuran; at -15 - -10℃; for 1h;Inert atmosphere; General procedure: 2- (2,2,2-trifluoroethoxy) bromobenzene 2558, isopropyl borate 2448 and methylTetrahydrofuran 1.5L was added to the reaction flask, and the reaction system was cooled to -15 C. 500 mL of isopropylmagnesium chloride in tetrahydrofuran (2.0 M) was added dropwise to the above reaction system and the internal temperature was controlled to not more than -10 C, and the reaction was kept at a low temperature for 1 hour. After completion of the reaction, 500 mL of 6M aqueous hydrochloric acid solution was added to terminate the reaction and the rhoH- = 2 ~ 3 was added, and the mixture was thoroughly stirred and the aqueous phase was extracted with methyltetrahydrofuran (1.5 LX 1). The combined organic layers were washed with saturated brine (1.5 LX 2), and the combined organic layers were dried over anhydrous sodium sulfate and concentrated to give the crude product of 2- (2,2,2-trifluoroethoxy) phenylboronic acid. The crude product was recrystallized from 770 mL of isopropanol and water (10: 1 by volume) to give 187 g of 2- (2,2,2-trifluoroethoxy) phenylboronic acid in a molar yield of 85%.
  • 2
  • [ 886536-37-4 ]
  • [ 294182-28-8 ]
  • [ 1340593-92-1 ]
YieldReaction ConditionsOperation in experiment
84% With potassium carbonate;palladium bis[bis(diphenylphosphino)ferrocene] dichloride; In tetrahydrofuran; water; at 20 - 70℃; for 2h;Inert atmosphere; To a stirred solution of epoxy bromide (C) (190 mg, 0.52 mmol) in THF: H20 (40 mL, 4:1 mixture) was added <strong>[886536-37-4](4-(2,2,2-trifluoroethoxy)phenyl)boronic acid</strong> (174 mg, 0.57 mmol) followed by K2C03 (215 mg, 1.56 mmol) at RT and degassed by purging with inert gas for 30 min. To the resulting reaction mixture was added Pd(dppf)2Cl2 (20 mg, 0.027 mmol) and further degassed for 20 min at RT. The reaction mixture was then heated up to 70 C and stirred for 2 h. Progress of the reaction was monitored by TLC; the reaction mixture was cooled to RT, diluted with EtOAc (20 mL) and filtered through celite pad. The collected filtrate was washed with water (2 x 50 mL). The separated organic layer was dried over anhydrous Na2S04 and concentrated under reduced pressure to obtain the crude. The crude material was purified by silica gel column chromatography (eluent: 15% EtOAc/hexane) to afford P (0.2 g, 0.43 mmol, 84%) as off-white solid. 1H NMR (200 MHz, CDC13): delta 8.85 (d, J = 22 Hz, 1H), 7.89 (dd, / = 8.2, 2.2 Hz, 1H), 7.59-7.51 (m, 3H), 7.48-7.36 (m, 1H), 7.08 (dd, / = 7.0, 2.2 Hz, 2H), 6.89-6.70 (m, 2H), 4.42 (q, / = 8.2 Hz, 2H), 3.48 (d, / = 5.0 Hz, 1H), 3.01-2.98 (m, 1H). MS (ESI): m/z 458 [M++l].
84% With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate; In tetrahydrofuran; water; at 20 - 70℃; for 2h;Inert atmosphere; To a stirred solution of epoxy bromide C (190 mg, 0.52 mmol) in THF:H20 (40 mL, 4: 1 mixture) was added <strong>[886536-37-4](4-(2,2,2-trifluoroethoxy)phenyl)boronic acid</strong> (174 mg, 0.57 mmol) followed by K2CO3 (215 mg, 1.56 mmol) at RT, and the mixture was degassed by purging with inert gas for 30 min. To the resulting reaction mixture was added Pd(dppf)2Cl2 (20 mg, 0.027 mmol), and the mixture was further degassed for 20 min at RT. The reaction mixture was then heated to 70 C and stirred for 2 h. Progress of the reaction was monitored by TLC. The reaction mixture was cooled to RT, diluted with EtOAc (20 mL) and filtered through a celite pad. The collected filtrate was washed with water (2 x 50 mL). The separated organic layer was dried over anhydrous Na2S04 and concentrated under reduced pressure to obtain the crude product. The crude material was purified by silica gel column chromatography (eluent: 15% EtOAc/hexane) to afford P (0.2 g, 0.43 mmol, 84%) as an off-white solid. 1H NMR (200 MHz, CDC13): delta 8.85 (d, J= 2.2 Hz, 1H), 7.89 (dd, J= 8.2, 2.2 Hz, 1H), 7.59-7.51 (m, 3H), 7.48-7.36 (m, 1H), 7.08 (dd, J= 7.0, 2.2 Hz, 2H), 6.89-6.70 (m, 2H), 4.42 (q, J= 8.2 Hz, 2H), 3.48 (d, J= 5.0 Hz, 1H), 3.01-2.98 (m, 1H). MS (ESI): m/z 458 [M++l].
84% To a stirred solution of epoxy bromide C (190 mg, 0.52 mmol) in THF:H20 (40 mL, 4: 1 mixture) was added <strong>[886536-37-4](4-(2,2,2-trifluoroethoxy)phenyl)boronic acid</strong> (174 mg, 0.57 mmol) followed by K2CO3 (215 mg, 1.56 mmol) at RT, and the mixture was degassed by purging with inert gas for 30 min. To the resulting reaction mixture was added Pd(dppf)2Cl2 (20 mg, 0.027 mmol), and the mixture was further degassed for 20 min at RT. The reaction mixture was then heated to 70 C and stirred for 2 h. Progress of the reaction was monitored by TLC. The reaction mixture was cooled to RT, diluted with EtOAc (20 mL) and filtered through a celite pad. The collected filtrate was washed with water (2 x 50 mL). The separated organic layer was dried over anhydrous Na2S04 and concentrated under reduced pressure to obtain the crude product. The crude material was purified by silica gel column chromatography (eluent: 15% EtOAc/hexane) to afford P (0.2 g, 0.43 mmol, 84%) as an off-white solid. 1H NMR (200 MHz, CDCI3): delta 8.85 (d, J= 2.2 Hz, 1H), 7.89 (dd, J= 8.2, 2.2 Hz, 1H), 7.59-7.51 (m, 3H), 7.48-7.36 (m, 1H), 7.08 (dd, J= 7.0, 2.2 Hz, 2H), 6.89-6.70 (m, 2H), 4.42 (q, J= 8.2 Hz, 2H), 3.48 (d, J= 5.0 Hz, 1H), 3.01-2.98 (m, 1H). MS (ESI): m/z 458 [M++l].
  • 3
  • [ 886536-37-4 ]
  • tert-butyl (2-(5-(3-bromophenyl)-1H-imidazol-2-yl)ethyl)carbamate [ No CAS ]
  • tert-butyl (2-(5-(4'-(2,2,2-trifluoroethoxy)-[1,1'-biphenyl]-3-yl)-1H-imidazol-2-yl)ethyl)carbamate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With palladium diacetate; sodium carbonate; triphenylphosphine; In toluene; butan-1-ol; for 2h;Reflux; Preparation of tert-butyl (2-(5-(4 ?-(2,2, 2-trifluoroethoxy)-[],] ?-biphenyl]-3-yl)-]H-imidazol-2- yl)ethyl)carbamate (37)tert-Butyl (2-(5 -(3-bromophenyl)- 1 H-imidazol-2-yl)ethyl)carbamate (35) (400 mg, 1.1 mmol), <strong>[886536-37-4]4-(2,2,2-trifluoroethoxy)phenyl boronic acid</strong> (36) (242 mg, 1.1 mmol), Pd(OAc)2 (11 mg, 0.005 mmol), PPh3 (3 mg, 0.Ol3mmol), and Na2CO3 (190 mg, 1.8 mmol) were heated in toluene/1-butanol (5mL/2.5 mL) at reflux for 2 h. The reaction was cooled, filtered, and concentrated in vacuo. The residue was purified by automated column chromatography (50 % EtOAc/PE) to give tert-butyl (2-(5 -(4?-(2,2,2-trifluoroethoxy)- [1,1 ?-biphenyll -3-yl)- 1H-imidazol- 2-yl)ethyl)carbamate (37). The product was confimed by LCMS and MS (positive ion mode).
  • 4
  • [ 886536-37-4 ]
  • tert-butyl (2-(5-(3-bromophenyl)-1H-imidazol-2-yl)ethyl)carbamate [ No CAS ]
  • 2-(5-(4’-(2,2,2-trifluoroethoxy)-[1,1’-biphenyl]-3-yl)-1H-imidazol-2-yl)ethanamine hydrochloride [ No CAS ]
  • 5
  • [ 886536-37-4 ]
  • (3R,5R)-1-acetyl-5-(3-bromo-6-tosyl-6H-imidazo[1,5-a]pyrrolo[2,3-e]pyrazin-1-yl)pyrrolidin-3-yl acetate [ No CAS ]
  • 1-((2R,4R)-4-hydroxy-2-(3-(4-(2,2,2-trifluoroethoxy)phenyl)-6H-imidazo[1,5-a]pyrrolo[2,3-e]pyrazin-1-yl)pyrrolidin-1-yl)ethanone [ No CAS ]
YieldReaction ConditionsOperation in experiment
81% With caesium carbonate; In 1,4-dioxane; ethanol; water; at 150℃; under 12929.0 Torr; for 0.5h; To a 5 mL microwave reaction vial was added (3R,5R)-1-acetyl-5-(3-bromo-6-tosyl-6H-imidazo[1,5-a]pyrrolo[2,3-e]pyrazin-1-yl)pyrrolidin-3-yl acetate (0.1 g, 0.178 mmol, Preparation No.1), <strong>[886536-37-4]4-(2,2,2-trifluoroethoxy)phenylboronic acid</strong> (0.086 g, 0.393 mmol, Combi-Blocks), SiliaCat diphenylphosphinopropane-Pd (0.074 g, 0.018 mmol) in 1,4-dioxane (1.034 ml) and EtOH (1.034 ml). A solution of Cs2CO3 (0.174 g, 0.535 mmol) in water (0.310 ml) was added, the mixture was heated in a microwave at about 150 C. (250 psi maximum pressure, 10 min ramp, 300 max watts) for about 30 min. The mixture was cooled to rt, filtered through Celite and dried over anhydrous MgSO4. The crude material was purified via silica gel chromatography (0 to 10% MeOH in DCM) to afford 1-((2R,4R)-4-hydroxy-2-(3-(4-(2,2,2-trifluoroethoxy)phenyl)-6H-imidazo[1,5-a]pyrrolo[2,3-e]pyrazin-1-yl)pyrrolidin-1-yl)ethanone (0.067 g, 81%): LC/MS (Table 3, Method a) Rt=1.80 min; MS m/z: 460 (M+H)+. Syk IC50=C.
81% With water; caesium carbonate; In ethanol; at 150℃; under 12929.0 Torr; for 0.5h;Microwave irradiation; To a 5 mL microwave reaction vial was added (3R,5R)-l-acetyl-5-(3-bromo-6-tosyl-6H- imidazo[l,5-a]pyrrolo[2,3-e]pyrazin-l-yl)pyrrolidin-3-yl acetate (0.1 g, 0.178 mmol, Preparation 1), <strong>[886536-37-4]4-(2,2,2-trifluoroethoxy)phenylboronic acid</strong> (0.086 g, 0.393 mmol, Combi-Blocks), SiliaCat diphenylphosphinopropane-Pd (0.074 g, 0.018 mmol) in 1,4- dioxane (1.034 ml) and EtOH (1.034 ml). A solution of Cs2C03 (0.174 g, 0.535 mmol) in water (0.310 ml) was added, the mixture was heated in a microwave at about 150 C (250 psi maximum pressure, 10 min ramp, 300 max watts) for about 30 min. The mixture was cooled to rt, filtered through Celite and dried over anhydrous MgS04. The crude material was purified via silica gel chromatography (0 to 10% MeOH in DCM) to afford l-((2R,4R)-4-hydroxy-2-(3-(4-(2,2,2-trifluoroethoxy)phenyl)-6H-imidazo[l,5- a]pyrrolo[2,3-e]pyrazin-l-yl)pyrrolidin-l-yl)ethanone (0.067 g, 81%): LC/MS (Table 3, Method a) Rt = 1.80 min; MS m/z: 460 (M+H)+. Syk IC50 = C.
  • 6
  • [ 886536-37-4 ]
  • [ 610-97-9 ]
  • C16H13F3O3 [ No CAS ]
  • 7
  • [ 886536-37-4 ]
  • 4'-(2,2,2-trifluoroethoxy)-[1,1'-biphenyl]-2-carboxylic acid [ No CAS ]
  • 8
  • [ 886536-37-4 ]
  • 3-(2,2,2-trifluoroethoxy)-6H-benzo[c]chromen-6-one [ No CAS ]
  • 9
  • [ 886536-37-4 ]
  • 3-amino-1-(5-bromopyridin-2-yl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol [ No CAS ]
  • C22H17F7N2O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With palladium bis[bis(diphenylphosphino)ferrocene] dichloride; potassium carbonate; In water; iso-butanol; at 85℃;Inert atmosphere; Potassium carbonate (30.4 g) and water (53.3 g) were charged to a 1-L flask equipped with overhead stirring, thermocouple, and nitrogen/vacuum inlet valve, and stirred until dissolved. The boronic acid (19.37 g), a solution of 4b-Br or 4c-Br in 2-butanol (103.5 g, 27.8 g theoretical 4b-Br or 4c-Br)) and 2-BuOH (147.1 g) were added and stirred to form a clear mixture. The flask was evacuated and refilled with nitrogen 3 times. Pd(d f)2Cl2 (0.30 g) was added and stirred to form a light orange solution. The flask was evacuated and refilled with nitrogen 4 times. The mixture was heated to 85 C and stirred overnight and endpointed by HPLC analysis. The reaction mixture was cooled to 60 C and the layers were allowed to settle. The aqueous layer was separated. The organic layer was washed with 5% NaCl solution (5 x 100 ml) at 30-40 C. The organic layer was filtered and transferred to a clean flask with rinses of 2-BuOH. The combined solution was 309.7 g, water content 13.6 wt% by KF analysis. The solution was diluted with 2-BuOH (189 g) and water (10 g). Theoretically the solution contained 34.8 g product, 522 ml (15 volumes) of 2-BuOH, and 52.2 ml (1.5 volumes) of water. L-Tartaric acid (13.25 g) was added and the mixture was heated to a target temperature of 70-75 C. During the heat-up, a thick suspension formed. After about 15 minutes at 70-72 C the suspension became fluid and easily stirred. The suspension was cooled at a rate of 10 C/hour to 25 C then stirred at 25 C for about 10 hours. The product was collected on a vacuum filter and washed with 10:1 (v/v) 2-BuOH/water (50 ml) and 2- butanol (40 ml). The salt was dried in a vacuum oven at 60 C with a nitrogen purge for 2 days. The yield was 40.08 g of 8a or 8b as a fluffy, grayish-white solid. The water content was 0.13 wt% by KF analysis. The yield was 87.3% with an HPLC purity of 99.48%.
  • 10
  • [ 886536-37-4 ]
  • 3-amino-1-(5-bromopyridin-2-yl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol [ No CAS ]
  • 2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol [ No CAS ]
  • 11
  • [ 886536-37-4 ]
  • [ 87-69-4 ]
  • 3-amino-1-(5-bromopyridin-2-yl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol [ No CAS ]
  • 3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol L-tartaric acid salt [ No CAS ]
YieldReaction ConditionsOperation in experiment
87.3% Synthesis of 3-amino-2-(2,4-difluorophenyl)- 1,1 -difluoro- 1-(5-(4-(2,2,2- trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol (8a or 8b)Potassium carbonate (30.4 g) and water (53.3 g) were charged to a 1-L flask equipped with overhead stirring, themocoup1e, and nitrogenlvacuum inlet valve, and stirred until dissolved.The boronic acid (19.37 g), a solution of 4b-Br or 4c-Br in 2-butanol (103.5 g, 27.8 g theoretical 4b-Br or 4c-Br)) and 2-BuOH (147.1 g) were added and stined to form a clear mixture. The flask was evacuated and refilled with nitrogen 3 times. Pd(dppf)2C12 (0.30 g) was added and stirred to form a light orange solution. The flask was evacuated and refilled withnitrogen 4 times. The mixture was heated to 85 C and stirred overnight and endpointed by HPLC analysis. The reaction mixture was cooled to 60 C and the layers were allowed to settle. The aqueous layer was separated. The organic layer was washed with 5% NaC1 solution (5 x 100 ml) at 30-40 C. The organic layer was filtered and transferred to a clean flask with rinses of 2-BuOH. The combined solution was 309.7 g, water content 13.6 wt% by KFanalysis. The solution was diluted with 2-BuOH (189 g) and water (10 g). Theoretically the solution contained 34.8 g product, 522 ml (15 volumes) of 2-BuOH, and 52.2 ml (1.5 volumes) of water. L-Tartaric acid (13.25 g) was added and the mixture was heated to a target temperature of 70-75 C. During the heat-up, a thick suspension formed. After about 15 minutes at 70-72 C the suspension became fluid and easily stirred. The suspension wascooled at a rate of 10 C/hour to 25 C then stirred at 25 C for about 10 hours. The product was collected on a vacuum filter and washed with 10:1 (v/v) 2-BuOH/water (50 ml) and 2- butanol (40 ml). The salt was dried in a vacuum oven at 60 C with a nitrogen purge for 2 days. The yield was 40.08 g of 8a or 8b as a fluffy, grayish-white solid. The water content was 0.13 wt% by KF analysis. The yield was 87.3% with an HPLC purity of 99.48%.
  • 12
  • [ 886536-37-4 ]
  • 2-bromo-8-(4-(2,2,2-trifluoroethoxy)phenyl)-[1,2,4]triazolo[1,5-a]pyridine [ No CAS ]
  • 13
  • [ 886536-37-4 ]
  • N-(3-(3-methylisothiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl)-8-(4-(2,2,2-trifluoroethoxy)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine [ No CAS ]
  • 14
  • [ 886536-37-4 ]
  • N-(3-(3-methylisothiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl)-8-(4-(2,2,2-trifluoroethoxy)phenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine [ No CAS ]
  • 15
  • [ 886536-37-4 ]
  • [ 1124382-72-4 ]
  • 8-(4-(2,2,2-trifluoroethoxy)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
62% With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; caesium carbonate; In 1,4-dioxane; water; at 80℃; for 3h; 8-(4-(2,2,2-Trifluoroethoxy)phenyl)-ri,2,41triazolori,5-alpyridin-2-amine In a 100 mL round-bottomed flask, 8-bromo-[l,2,4]triazolo[l,5-a]pyridin-2-amine (775 mg, 3.64 mmol), cesium carbonate (2.37 g, 7.27 mmol) and (4-(2,2,2-trifluoroethoxy)phenyl)boronic acid (800 mg, 3.64 mmol) were combined with dioxane (45 ml) and water (4.5 ml) to give a light brown solution. l, -Bis(diphenylphosphino)ferrocene-palladium(II)dichloride dichloromethane complex (266 mg, 364 mupiiotaomicron) was added and the reaction mixture was heated at 80C for 3 hours. Chromatography (silica gel, 40 g, ethyl acetate/heptane = 50:50 to 100:0) yielded the title compound as off-white solid (690 mg, 62%). MS: m/z = 309.1 [M+H]+.
  • 16
  • [ 886536-37-4 ]
  • [ 63262-06-6 ]
  • C22H14Br2F6O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
33.3% With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In tetrahydrofuran; for 12h;Reflux; Inert atmosphere; 18.5 g (0.038 mol) of 1,4-dibromo-2,5-diiodobenzene(0.078 mol) of (4- (2,2,2-trifluoroethoxy) phenyl) boronic acid,2.2 g of tetrakis (triphenylphosphine) palladium (0)2M potassium carbonate 114ml,Was mixed with 380 ml of tetrahydrofuran,And the mixture was refluxed under nitrogen for 12 hours.After cooling,Extraction with water and dichloromethane,The residue was further purified by silica gel column (developing solvent: ethyl acetate / hexane = 10/1)7.4 g (33.3%) of a white solid was obtained.
  • 17
  • [ 886536-37-4 ]
  • [ 63262-06-6 ]
  • 2',5'-diiodo-4,4''-bis((trifluoromethoxy)methyl)-1,1':4',1''-terphenyl [ No CAS ]
  • 18
  • [ 886536-37-4 ]
  • C15H8(2)H2BrF4N5O [ No CAS ]
  • C23H14(2)H2F7N5O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With bis-triphenylphosphine-palladium(II) chloride; potassium phosphate; In N,N-dimethyl-formamide; at 80℃; Compound 15 (1 mol) and compound 27 (1 mol), Pd(PPh3)2Cl2 (10% mol), K3PO4 (2 mmol) were dissolved in N,N-dimethylformamide.Reacted to the raw material at 80 degrees,Pour into ice water and extract 3 times with ethyl acetate.After drying, spin-drying and column chromatography gave the final product D21.
  • 19
  • [ 886536-37-4 ]
  • C19H15(2)H4NOSi [ No CAS ]
  • 20
  • [ 886536-37-4 ]
  • C31H16(2)H4F4N6O2 [ No CAS ]
  • 21
  • [ 886536-37-4 ]
  • (R)-1-(5-bromopyridin-2-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)propan-2-ol [ No CAS ]
  • C31H16(2)H4F4N6O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With bis-triphenylphosphine-palladium(II) chloride; potassium fluoride; copper(l) iodide; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 60℃; Compound C (1 mol) and Compound 27 (1 mol), CuI (5% mol), Pd(PPh3)2Cl2 (10% mol),N,N-diisopropylethylamine (5 mol), KF (1 mmol) was dissolved in N,N-dimethylformamide,Reacted to the raw material at 60 degrees,Pour into ice water and extract 3 times with ethyl acetate. After drying,After spin-drying, column chromatography gave the final product D24
  • 22
  • [ 886536-37-4 ]
  • (2R)-3-amino-1-(5-bromopyridin-2-yl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol [ No CAS ]
  • C22H17F7N2O2 [ No CAS ]
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(4-Phenoxyphenyl)boronic acid

Similarity: 0.81

Chemical Structure| 265664-52-6

[ 265664-52-6 ]

(4-(2-Methoxyethoxy)phenyl)boronic acid

Similarity: 0.81

Chemical Structure| 279262-15-6

[ 279262-15-6 ]

(4-(2-Ethoxyethoxy)phenyl)boronic acid

Similarity: 0.81

Chemical Structure| 90555-66-1

[ 90555-66-1 ]

3-Ethoxyphenylboronic acid

Similarity: 0.81

Aryls

Chemical Structure| 22237-13-4

[ 22237-13-4 ]

4-Ethoxyphenylboronic acid

Similarity: 0.82

Chemical Structure| 51067-38-0

[ 51067-38-0 ]

(4-Phenoxyphenyl)boronic acid

Similarity: 0.81

Chemical Structure| 265664-52-6

[ 265664-52-6 ]

(4-(2-Methoxyethoxy)phenyl)boronic acid

Similarity: 0.81

Chemical Structure| 279262-15-6

[ 279262-15-6 ]

(4-(2-Ethoxyethoxy)phenyl)boronic acid

Similarity: 0.81

Chemical Structure| 90555-66-1

[ 90555-66-1 ]

3-Ethoxyphenylboronic acid

Similarity: 0.81

Ethers

Chemical Structure| 22237-13-4

[ 22237-13-4 ]

4-Ethoxyphenylboronic acid

Similarity: 0.82

Chemical Structure| 51067-38-0

[ 51067-38-0 ]

(4-Phenoxyphenyl)boronic acid

Similarity: 0.81

Chemical Structure| 265664-52-6

[ 265664-52-6 ]

(4-(2-Methoxyethoxy)phenyl)boronic acid

Similarity: 0.81

Chemical Structure| 279262-15-6

[ 279262-15-6 ]

(4-(2-Ethoxyethoxy)phenyl)boronic acid

Similarity: 0.81

Chemical Structure| 90555-66-1

[ 90555-66-1 ]

3-Ethoxyphenylboronic acid

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Trifluoromethyls

Chemical Structure| 179113-90-7

[ 179113-90-7 ]

(3-(Trifluoromethoxy)phenyl)boronic acid

Similarity: 0.76

Chemical Structure| 175676-65-0

[ 175676-65-0 ]

2-Trifluoromethoxyphenylboronic acid

Similarity: 0.74

Chemical Structure| 871329-83-8

[ 871329-83-8 ]

4-Ethoxy-3-(trifluoromethyl)phenylboronic acid

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Chemical Structure| 313545-39-0

[ 313545-39-0 ]

(4-Ethoxy-2-(trifluoromethyl)phenyl)boronic acid

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Chemical Structure| 871332-97-7

[ 871332-97-7 ]

3-Methoxy-5-(trifluoromethyl)phenylboronic acid

Similarity: 0.72