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[ CAS No. 886766-60-5 ]

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Chemical Structure| 886766-60-5
Chemical Structure| 886766-60-5
Structure of 886766-60-5 * Storage: {[proInfo.prStorage]}

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Product Details of [ 886766-60-5 ]

CAS No. :886766-60-5 MDL No. :MFCD07367734
Formula : C15H22N2O2 Boiling Point : 376.2°C at 760 mmHg
Linear Structure Formula :- InChI Key :N/A
M.W :262.35 g/mol Pubchem ID :-
Synonyms :

Safety of [ 886766-60-5 ]

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 [ 886766-60-5 ]

  • Downstream synthetic route of [ 886766-60-5 ]

[ 886766-60-5 ] Synthesis Path-Downstream   1~16

  • 1
  • [ 886766-60-5 ]
  • [ 13790-39-1 ]
  • [ 1239955-82-8 ]
YieldReaction ConditionsOperation in experiment
With tetra-(n-butyl)ammonium iodide; potassium carbonate In N,N-dimethyl acetamide at 100℃; for 3h; 4.1 Step 1. 4-Chloro-6,7-dimethoxyquinazoline (856 mg, 3.81 mmol), tert-butyl 2-phenylpiperazine-1-carboxylate (1.0 g, 3.81 mmol), N,N-dimethylacetamide (15 mL), tetra-n-butylammonium iodide (140 mg, 0.38 mmol) and potassium carbonate (1.58 g, 11.4 mmol) were combined and warmed to 100° C. for 3 hours, concentrated under vacuum at 55° C. and the residue was dissolved in 100 mL of water and 200 mL of DCM. The organic phase was separated, dried (MgSO4), concentrated and purified by column chromatography over silica gel using a gradient elution going from 0% MeOH to 5% MeOH in 1:1 EtOAc/hexane with 0.3% DMEA to provide tert-butyl 4-(6,7-dimethoxyquinazolin-4-yl)-2-phenylpiperazine-1-carboxylate as a white solid.
  • 2
  • [ 886766-60-5 ]
  • 2-chloro-7-(trifluoromethyl)-1H-benzimidazole [ No CAS ]
  • 2-(3-phenyl-piperazin-1-yl)-4-trifluoromethyl-1H-benzoimidazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
74% Stage #1: 2-phenyl-piperazine-1-carboxylic acid tert-butyl ester; 2-chloro-7-(trifluoromethyl)-1H-benzimidazole With N-ethyl-N,N-diisopropylamine In acetonitrile at 90 - 170℃; for 2h; Microwave irradiation; Stage #2: With trifluoroacetic acid In dichloromethane at 50℃; 141 Example 141 Racemic Mixture Example 141 Racemic Mixture 2-Chloro-7-(Trifluoromethyl)-1H-Benzimidazole (220 mg, 1.0 mmol), 2-Phenyl-piperazine-1-carboxylic acid tert-butyl ester (400 mg, 1.5 mmol), N,N-diisopropylethylamine (500 μl, 2.9 mmol) are dissolved in 3 ml of acetonitrile and heated in a microwave reactor 1.5 hours at 160° C. and then 30 minutes at 170° C. The reaction mixture is stirred into an open flask at 90° C. to evaporate the solvent then the residue is dissolved in 4 ml of DCM; trifluoroacetic acid (2.0 ml, 26.0 mmol) is added and the reaction mixture is stirred until complete deprotection occurs; it is then concentrated at 50° C. The residue is dissolved in MeOH, basified by addition of Triethylamine and purified by preparative HPLC-MS to obtain 255 mg (74% yield) of the intermediate 2-(3-Phenyl-piperazin-1-yl)-4-trifluoromethyl-1H-benzoimidazole.N,N-diisopropylethylamine (50 μl, 0.29 mmol) and HATU (40 mg, 0.11 mmol) are added into a solution of tetrahydro-2H-thiopyran-4-carboxylic acid 1,1-dioxide (18 mg, 0.10 mmol) dissolved in 2 ml of DMF. After 10 minutes stirring, 2-(3-Phenyl-piperazin-1-yl)-4-trifluoromethyl-1H-benzoimidazole (35 mg, 0.10 mmol, prepared as described above) is added and the reaction mixture is stirred overnight, diluted with Methanol, water and trifluoroacetic acid and finally purified by preparative HPLC-MS to obtain the title compound (41 mg, 81% yield on the last step). [0911] HPLC-MS (Method 19): Rt=1.19 min [0912] MS: m/z=507 [M+H]+
  • 3
  • [ 886766-60-5 ]
  • [ 1075753-27-3 ]
  • C23H25F3N4O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 160 - 170℃; for 2h;Microwave irradiation; 2-Chloro-7-(Trifluoromethyl)-lH-Benzimidazole (220 mg, 1.0 mmol), 2-Phenyl- piperazine-l-carboxylic acid tert-butyl ester (400 mg, 1.5 mmol), N,N- diisopropylethylamine (500 mu, 2.9 mmol) are dissolved in 3 ml of acetonitrile and heated in a microwave reactor 1.5 hours at 160C and then 30 minutes at 170C. The reaction mixture is stirred into an open flask at 90C to evaporate the solvent then the residue is dissolved in 4 ml of DCM; trifluoroacetic acid (2.0 ml, 26.0 mmol) is added and the reaction mixture is stirred until complete deprotection occurs; it is then concentrated at 50C. The residue is dissolved in MeOH, basified by addition of Triethylamine and purified by preparative HPLC-MS to obtain 255 mg (74% yield) of the intermediate 2-(3- Phenyl-piperazin- 1 -yl)-4-trifluoromethyl- 1 H-benzoimidazole. N,N-diisopropylethylamine (50 mu, 0.29 mmol) and HATU (40 mg, 0.11 mmol) are added into a solution of tetrahydro-2H-thiopyran-4-carboxylic acid 1,1-dioxide (18 mg, 0.10 mmol) dissolved in 2 ml of DMF. After 10 minutes stirring, 2-(3-Phenyl-piperazin-l-yl)-4- trifluoromethyl-lH-benzoimidazole (35 mg, 0.10 mmol, prepared as described above) is added and the reaction mixture is stirred overnight, diluted with Methanol, water and trifluoroacetic acid and finally purified by preparative HPLC-MS to obtain the title compund (41 mg, 81% yield on the last step). HPLC-MS (Method 19): Rt = 1.19 min MS: m/z = 507 [M+H]+
  • 4
  • [ 886766-60-5 ]
  • C24H25F3N4O3S [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: N-ethyl-N,N-diisopropylamine / acetonitrile / 2 h / 160 - 170 °C / Microwave irradiation 2: trifluoroacetic acid / dichloromethane; acetonitrile 3: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 0.17 h
  • 5
  • [ 886766-60-5 ]
  • 2-(3-phenyl-piperazin-1-yl)-4-trifluoromethyl-1H-benzoimidazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: N-ethyl-N,N-diisopropylamine / acetonitrile / 2 h / 160 - 170 °C / Microwave irradiation 2: trifluoroacetic acid / dichloromethane; acetonitrile
  • 7
  • [ 886766-60-5 ]
  • 2-(4-(3-(methylsulfonyl)phenyl)-2-phenylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: copper(II) acetate monohydrate; oxygen / dichloromethane / 40 °C / Molecular sieve 2: hydrogenchloride / dichloromethane; 1,4-dioxane / 4 h / 20 °C 3: N-ethyl-N,N-diisopropylamine / isopropyl alcohol / 0.5 h / 160 °C / Microwave irradiation
  • 8
  • [ 886766-60-5 ]
  • 2-(4-(3-(methylsulfonyl)phenyl)-2-phenylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine [ No CAS ]
  • 2-(4-(3-(methylsulfonyl)phenyl)-2-phenylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: copper(II) acetate monohydrate; oxygen / dichloromethane / 40 °C / Molecular sieve 2: hydrogenchloride / dichloromethane; 1,4-dioxane / 4 h / 20 °C 3: N-ethyl-N,N-diisopropylamine / isopropyl alcohol / 0.5 h / 160 °C / Microwave irradiation 4: Column: AD-H; Method Name: AD-H_3_40_2.5ml.met / Resolution of racemate
  • 9
  • [ 886766-60-5 ]
  • C27H37BN2O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; palladium diacetate / toluene / 20 h / 105 °C 2: potassium acetate; tetrakis(triphenylphosphine) palladium(0) / 1,4-dioxane / 0.67 h / 110 °C / Microwave irradiation
  • 10
  • [ 886766-60-5 ]
  • C35H40N8O3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; palladium diacetate / toluene / 20 h / 105 °C 2: potassium acetate; tetrakis(triphenylphosphine) palladium(0) / 1,4-dioxane / 0.67 h / 110 °C / Microwave irradiation 3: sodium carbonate / water; N,N-dimethyl-formamide / 2 h / 90 °C
  • 12
  • [ 24424-99-5 ]
  • [ 886766-60-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: triethylamine / dichloromethane 2: sodium hydride / N,N-dimethyl-formamide 3: lithium aluminium tetrahydride / tetrahydrofuran / Reflux 4: palladium on activated charcoal; hydrogen / methanol
  • 13
  • [ 5368-28-5 ]
  • [ 886766-60-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: triethylamine / dichloromethane 2: sodium hydride / N,N-dimethyl-formamide 3: lithium aluminium tetrahydride / tetrahydrofuran / Reflux 4: palladium on activated charcoal; hydrogen / methanol
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