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1235865-77-6

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CAS No.: 1235865-77-6
Name: 2-((1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid
Article Data: 20
Molecular Structure:
Molecular Structure of 1235865-77-6 (2-((1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid)
Formula: C33H35ClN4O3
Molecular Weight: 571.119
Synonyms: 1235865-77-6;2-((1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid;2-[(1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy]-4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl]methyl]piperazin-1-yl]benzoic acid;4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid;EC 805-126-7;2-((1H-Pyrrolo(2,3-b)pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-(1,1'-biphenyl)-2-yl)methyl)piperazin-1-yl)benzoic acid;C33H35ClN4O3;SCHEMBL523382;DTXSID301102949;BCP09745;CS-M3716;MFCD28129979;AKOS027254177;SB18336;4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)Benzoic acid;AC-29701;DS-10365;FT-0742099;2-((1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic;2-((1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoicacid;2-(1H-Pyrrolo[2,3-b]py-5-yloxy)-4-(4-(4'-Cl-5,5-diMe-3,4,5,6-tetrahydro-1,1'-biPh-2-yl)methylpiperazin-1-yl)benzoic acid, 95%;2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)benzamide;2-(1h-pyrrolo[2,3-b]pyridin-5-yloxy)-4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)benzoic acid;4-(4-{[2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-2-{1H-pyrrolo[2,3-b]pyridin-5-yloxy}benzoic acid;4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-cyclohexen-1-yl]methyl]piperazin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid;Benzoic acid, 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-
EINECS: 805-126-7
Density: 1.282±0.06 g/cm3(Predicted)
PSA: 81.69000
LogP: 7.49560
Related products
Synthetic route
1235865-76-5

2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((4’-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1’-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid methyl ester

1235865-77-6

[2-((1H-pyrrolo [2,3-b]pyridin-5-yl)oxy)-4-(4-((4’-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1’-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid]

Conditions
ConditionsYield
With sodium hydroxide In tetrahydrofuran; methanol; water at 45℃;96.9%
With water; sodium hydroxide In tetrahydrofuran; ethanol at 20℃;93%
With water; sodium hydroxide In dimethyl sulfoxide at 20℃; for 3h; Solvent; Reagent/catalyst; Temperature;92%

tert-butyl 2-((1H-pyrrolo[2,3-b]pyridin-5-yl)-oxy)-4-(4-((4′-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1′-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoate

1235865-77-6

[2-((1H-pyrrolo [2,3-b]pyridin-5-yl)oxy)-4-(4-((4’-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1’-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid]

Conditions
ConditionsYield
With potassium tert-butylate In 2-methyltetrahydrofuran; water for 2h; Inert atmosphere; Large scale;88%
With potassium tert-butylate In 2-methyltetrahydrofuran; water at 55℃; Inert atmosphere;85%
With potassium tert-butylate; water In 2-methyltetrahydrofuran at 50℃; for 5h; Inert atmosphere;57.6%

C27H33ClN2O3

183208-35-7

5-bromo-1H-pyrrolo[2,3-b]pyridine

1235865-77-6

[2-((1H-pyrrolo [2,3-b]pyridin-5-yl)oxy)-4-(4-((4’-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1’-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid]

Conditions
ConditionsYield
Stage #1: C27H33ClN2O3; 5-bromo-1H-pyrrolo[2,3-b]pyridine With copper(l) iodide; caesium carbonate In dimethyl sulfoxide at 80℃; for 3h;
Stage #2: With methanol; sodium hydroxide at 65℃; Solvent; Temperature; Reagent/catalyst;		83%
183208-35-7

5-bromo-1H-pyrrolo[2,3-b]pyridine

1235865-77-6

[2-((1H-pyrrolo [2,3-b]pyridin-5-yl)oxy)-4-(4-((4’-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1’-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid]

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: lithium hexamethyldisilazane / tetrahydrofuran / 0.17 h
1.2: 24 h / 20 °C
2.1: n-butyllithium / tetrahydrofuran / 0.03 h / -78 °C
2.2: 1 h / -78 - 20 °C
2.3: 1 h / 0 °C
3.1: potassium phosphate / diethylene glycol dimethyl ether / 24 h / 115 °C
4.1: dipotassium hydrogenphosphate / dimethyl sulfoxide / 24 h / 135 °C
5.1: sodium hydroxide / 1,4-dioxane / 24 h / 50 °C
5.2: Cooling
View Scheme
Multi-step reaction with 5 steps
1.1: lithium hexamethyldisilazane / tetrahydrofuran / 0.17 h
1.2: 24 h / 20 °C
2.1: n-butyllithium / tetrahydrofuran / 0.03 h / -78 °C
2.2: 1 h / 20 °C
2.3: 1 h / 0 °C
3.1: potassium phosphate / diethylene glycol dimethyl ether / 24 h / 115 °C
4.1: dipotassium hydrogenphosphate / dimethyl sulfoxide / 24 h / 135 °C
5.1: sodium hydroxide / 1,4-dioxane / 24 h / 50 °C
View Scheme
Multi-step reaction with 5 steps
1.1: lithium hexamethyldisilazane / tetrahydrofuran / 0.17 h
1.2: 24 h / 20 °C
2.1: n-butyllithium / tetrahydrofuran; hexane / 0.03 h / -78 °C
2.2: 1 h / -78 - 20 °C
3.1: potassium phosphate / diethylene glycol dimethyl ether / 24 h / 115 °C
4.1: dipotassium hydrogenphosphate / dimethyl sulfoxide / 24 h / 135 °C
5.1: sodium hydroxide; water / 1,4-dioxane / 24 h / 50 °C
View Scheme
858116-66-2

5-bromo-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine

1235865-77-6

[2-((1H-pyrrolo [2,3-b]pyridin-5-yl)oxy)-4-(4-((4’-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1’-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid]

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: n-butyllithium / tetrahydrofuran / 0.03 h / -78 °C
1.2: 1 h / -78 - 20 °C
1.3: 1 h / 0 °C
2.1: potassium phosphate / diethylene glycol dimethyl ether / 24 h / 115 °C
3.1: dipotassium hydrogenphosphate / dimethyl sulfoxide / 24 h / 135 °C
4.1: sodium hydroxide / 1,4-dioxane / 24 h / 50 °C
4.2: Cooling
View Scheme
Multi-step reaction with 4 steps
1.1: n-butyllithium / tetrahydrofuran / 0.03 h / -78 °C
1.2: 1 h / 20 °C
1.3: 1 h / 0 °C
2.1: potassium phosphate / diethylene glycol dimethyl ether / 24 h / 115 °C
3.1: dipotassium hydrogenphosphate / dimethyl sulfoxide / 24 h / 135 °C
4.1: sodium hydroxide / 1,4-dioxane / 24 h / 50 °C
View Scheme
Multi-step reaction with 4 steps
1.1: n-butyllithium / tetrahydrofuran; hexane / 0.03 h / -78 °C
1.2: 1 h / -78 - 20 °C
2.1: potassium phosphate / diethylene glycol dimethyl ether / 24 h / 115 °C
3.1: dipotassium hydrogenphosphate / dimethyl sulfoxide / 24 h / 135 °C
4.1: sodium hydroxide; water / 1,4-dioxane / 24 h / 50 °C
View Scheme
Multi-step reaction with 4 steps
1.1: n-butyllithium / tetrahydrofuran / 0.03 h / -78 °C
1.2: 1 h / -78 - 20 °C
1.3: 1 h / 0 °C
2.1: potassium phosphate / diethylene glycol dimethyl ether / 24 h / 115 °C
3.1: dipotassium hydrogenphosphate / dimethyl sulfoxide / 24 h / 135 °C
4.1: sodium hydroxide / 1,4-dioxane / 24 h / 50 °C
View Scheme
Multi-step reaction with 4 steps
1.1: n-butyllithium; Trimethyl borate / tetrahydrofuran / 1 h / -78 - 20 °C
1.2: 1 h / 0 °C
2.1: potassium phosphate / diethylene glycol dimethyl ether / 24 h / 115 °C
3.1: dipotassium hydrogenphosphate / dimethyl sulfoxide / 24 h / 135 °C
4.1: sodium hydroxide / 1,4-dioxane / 24 h / 50 °C
View Scheme
32767-46-7

methyl 4,4-dimethyl-2-oxocyclohexancarboxylate

1235865-77-6

[2-((1H-pyrrolo [2,3-b]pyridin-5-yl)oxy)-4-(4-((4’-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1’-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid]

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1.1: sodium hydride / dichloromethane / 0.5 h / 0 °C
1.2: 24 h / -78 - 20 °C
2.1: cesium fluoride / tetrakis(triphenylphosphine) palladium(0) / 1,2-dimethoxyethane; methanol / 24 h / 70 °C
3.1: lithium borohydride; methanol / diethyl ether / 24 h / 20 °C
4.1: triethylamine; methanesulfonyl chloride / dichloromethane / 0.02 h / 0 °C
4.2: 24 h / 20 °C
5.1: trifluoroacetic acid; triethylsilane / dichloromethane / 1 h
6.1: dipotassium hydrogenphosphate / dimethyl sulfoxide / 24 h / 135 °C
7.1: sodium hydroxide / 1,4-dioxane / 24 h / 50 °C
7.2: Cooling
View Scheme
Multi-step reaction with 7 steps
1.1: sodium hydride / dichloromethane / 0.5 h / 0 °C
1.2: -78 - 20 °C
2.1: cesium fluoride / tetrakis(triphenylphosphine) palladium(0) / 1,2-dimethoxyethane; methanol / 24 h / 70 °C
3.1: lithium borohydride; methanol / diethyl ether / 24 h / 20 °C
4.1: triethylamine; methanesulfonyl chloride / dichloromethane / 0.02 h / 0 °C
4.2: 24 h / 20 °C
5.1: trifluoroacetic acid; triethylsilane / dichloromethane / 1 h
6.1: dipotassium hydrogenphosphate / dimethyl sulfoxide / 24 h / 135 °C
7.1: sodium hydroxide / 1,4-dioxane / 24 h / 50 °C
View Scheme
Multi-step reaction with 7 steps
1.1: sodium hydride / dichloromethane / 0.5 h / 0 °C
1.2: 24 h / -78 - 20 °C
2.1: tetrakis(triphenylphosphine) palladium(0); cesium fluoride / 1,2-dimethoxyethane; methanol / 24 h / 70 °C
3.1: lithium borohydride / methanol / 24 h / 20 °C
4.1: methanesulfonyl chloride; triethylamine / dichloromethane / 0.02 h / 0 °C
4.2: 24 h / 20 °C
5.1: triethylsilane; trifluoroacetic acid / dichloromethane / 1 h
6.1: dipotassium hydrogenphosphate / dimethyl sulfoxide / 24 h / 135 °C
7.1: sodium hydroxide; water / 1,4-dioxane / 24 h / 50 °C
View Scheme
1228780-46-8

methyl 4,4-dimethyl-2-(((trifluoromethyl)sulfonyl)oxy)cyclohex-1-ene-1-carboxylate

1235865-77-6

[2-((1H-pyrrolo [2,3-b]pyridin-5-yl)oxy)-4-(4-((4’-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1’-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid]

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1.1: cesium fluoride / tetrakis(triphenylphosphine) palladium(0) / 1,2-dimethoxyethane; methanol / 24 h / 70 °C
2.1: lithium borohydride; methanol / diethyl ether / 24 h / 20 °C
3.1: triethylamine; methanesulfonyl chloride / dichloromethane / 0.02 h / 0 °C
3.2: 24 h / 20 °C
4.1: trifluoroacetic acid; triethylsilane / dichloromethane / 1 h
5.1: dipotassium hydrogenphosphate / dimethyl sulfoxide / 24 h / 135 °C
6.1: sodium hydroxide / 1,4-dioxane / 24 h / 50 °C
6.2: Cooling
View Scheme
Multi-step reaction with 6 steps
1.1: cesium fluoride / tetrakis(triphenylphosphine) palladium(0) / 1,2-dimethoxyethane; methanol / 24 h / 70 °C
2.1: lithium borohydride; methanol / diethyl ether / 24 h / 20 °C
3.1: triethylamine; methanesulfonyl chloride / dichloromethane / 0.02 h / 0 °C
3.2: 24 h / 20 °C
4.1: trifluoroacetic acid; triethylsilane / dichloromethane / 1 h
5.1: dipotassium hydrogenphosphate / dimethyl sulfoxide / 24 h / 135 °C
6.1: sodium hydroxide / 1,4-dioxane / 24 h / 50 °C
View Scheme
Multi-step reaction with 6 steps
1.1: tetrakis(triphenylphosphine) palladium(0); cesium fluoride / 1,2-dimethoxyethane; methanol / 24 h / 70 °C
2.1: lithium borohydride / methanol / 24 h / 20 °C
3.1: methanesulfonyl chloride; triethylamine / dichloromethane / 0.02 h / 0 °C
3.2: 24 h / 20 °C
4.1: triethylsilane; trifluoroacetic acid / dichloromethane / 1 h
5.1: dipotassium hydrogenphosphate / dimethyl sulfoxide / 24 h / 135 °C
6.1: sodium hydroxide; water / 1,4-dioxane / 24 h / 50 °C
View Scheme
1228780-49-1

4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-carboxylic acid methyl ester

1235865-77-6

[2-((1H-pyrrolo [2,3-b]pyridin-5-yl)oxy)-4-(4-((4’-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1’-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid]

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: lithium borohydride; methanol / diethyl ether / 24 h / 20 °C
2.1: triethylamine; methanesulfonyl chloride / dichloromethane / 0.02 h / 0 °C
2.2: 24 h / 20 °C
3.1: trifluoroacetic acid; triethylsilane / dichloromethane / 1 h
4.1: dipotassium hydrogenphosphate / dimethyl sulfoxide / 24 h / 135 °C
5.1: sodium hydroxide / 1,4-dioxane / 24 h / 50 °C
5.2: Cooling
View Scheme
Multi-step reaction with 5 steps
1.1: lithium borohydride; methanol / diethyl ether / 24 h / 20 °C
2.1: triethylamine; methanesulfonyl chloride / dichloromethane / 0.02 h / 0 °C
2.2: 24 h / 20 °C
3.1: trifluoroacetic acid; triethylsilane / dichloromethane / 1 h
4.1: dipotassium hydrogenphosphate / dimethyl sulfoxide / 24 h / 135 °C
5.1: sodium hydroxide / 1,4-dioxane / 24 h / 50 °C
View Scheme
Multi-step reaction with 5 steps
1.1: lithium borohydride / methanol / 24 h / 20 °C
2.1: methanesulfonyl chloride; triethylamine / dichloromethane / 0.02 h / 0 °C
2.2: 24 h / 20 °C
3.1: triethylsilane; trifluoroacetic acid / dichloromethane / 1 h
4.1: dipotassium hydrogenphosphate / dimethyl sulfoxide / 24 h / 135 °C
5.1: sodium hydroxide; water / 1,4-dioxane / 24 h / 50 °C
View Scheme
1228780-51-5

(4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methanol

1235865-77-6

[2-((1H-pyrrolo [2,3-b]pyridin-5-yl)oxy)-4-(4-((4’-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1’-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid]

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: triethylamine; methanesulfonyl chloride / dichloromethane / 0.02 h / 0 °C
1.2: 24 h / 20 °C
2.1: trifluoroacetic acid; triethylsilane / dichloromethane / 1 h
3.1: dipotassium hydrogenphosphate / dimethyl sulfoxide / 24 h / 135 °C
4.1: sodium hydroxide / 1,4-dioxane / 24 h / 50 °C
4.2: Cooling
View Scheme
Multi-step reaction with 4 steps
1.1: triethylamine; methanesulfonyl chloride / dichloromethane / 0.02 h / 0 °C
1.2: 24 h / 20 °C
2.1: trifluoroacetic acid; triethylsilane / dichloromethane / 1 h
3.1: dipotassium hydrogenphosphate / dimethyl sulfoxide / 24 h / 135 °C
4.1: sodium hydroxide / 1,4-dioxane / 24 h / 50 °C
View Scheme
Multi-step reaction with 4 steps
1.1: methanesulfonyl chloride; triethylamine / dichloromethane / 0.02 h / 0 °C
1.2: 24 h / 20 °C
2.1: triethylsilane; trifluoroacetic acid / dichloromethane / 1 h
3.1: dipotassium hydrogenphosphate / dimethyl sulfoxide / 24 h / 135 °C
4.1: sodium hydroxide; water / 1,4-dioxane / 24 h / 50 °C
View Scheme
1228780-71-9

tert-butyl 4-((4′-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1′-biphenyl]-2-yl)methyl)piperazine-1-carboxylate

1235865-77-6

[2-((1H-pyrrolo [2,3-b]pyridin-5-yl)oxy)-4-(4-((4’-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1’-biphenyl]-2-yl)methyl)piperazin-1-yl)benzoic acid]

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: trifluoroacetic acid; triethylsilane / dichloromethane / 1 h
2.1: dipotassium hydrogenphosphate / dimethyl sulfoxide / 24 h / 135 °C
3.1: sodium hydroxide / 1,4-dioxane / 24 h / 50 °C
3.2: Cooling
View Scheme
Multi-step reaction with 3 steps
1: trifluoroacetic acid; triethylsilane / dichloromethane / 1 h
2: dipotassium hydrogenphosphate / dimethyl sulfoxide / 24 h / 135 °C
3: sodium hydroxide / 1,4-dioxane / 24 h / 50 °C
View Scheme
Multi-step reaction with 3 steps
1: triethylsilane; trifluoroacetic acid / dichloromethane / 1 h
2: dipotassium hydrogenphosphate / dimethyl sulfoxide / 24 h / 135 °C
3: sodium hydroxide; water / 1,4-dioxane / 24 h / 50 °C
View Scheme
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  • Shandong Bolode Bio-Technology Co., LTD

     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86-0531-58966870

    Address:136 Jingyi Road,Huaiyin District,Jinan,Shandong,China

       Inquiry Now

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