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[ CAS No. 512822-50-3 ] {[proInfo.proName]}

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Chemical Structure| 512822-50-3
Chemical Structure| 512822-50-3
Structure of 512822-50-3 * Storage: {[proInfo.prStorage]}
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Product Details of [ 512822-50-3 ]

CAS No. :512822-50-3 MDL No. :MFCD03426147
Formula : C12H21NO4 Boiling Point : -
Linear Structure Formula :- InChI Key :ZFQQTPBWJCJGSV-UHFFFAOYSA-N
M.W : 243.30 Pubchem ID :4248616
Synonyms :

Safety of [ 512822-50-3 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 512822-50-3 ]

* 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 [ 512822-50-3 ]

[ 512822-50-3 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 512822-50-3 ]
  • [ 39213-22-4 ]
  • 4-(3,5-bis-trifluoromethyl-benzenesulfonylaminocarbonyl)-3-cis-methyl-piperidine-1-carboxylic acid tert-butyl ester [ No CAS ]
  • 4-(3,5-bis-trifluoromethyl-benzenesulfonylaminocarbonyl)-3-trans-methyl-piperidine-1-carboxylic acid tert-butyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; B 18 ml of a sodium bis(trimethylsilyl)amide solution (2M) in THF are added to a suspension of 12.4 g of methoxymethyltriphenylphosphonium chloride in 25 ml of dry THF at 0°. To the mixture obtained, 5.87 g of 3-methyl-4-oxo-piperidine-1-carboxylic acid tertbutyl ester in 25 ml of THF are slowly added, the mixture obtained is stirred at 0°, diluted with EtAc and extracted with aqueous 1M HCI, saturated aqueous NaHCO3 solution and brine. The organic EPO layer obtained is dried and solvent is evaporated. The evaporation residue obtained is subjected to filtration over silica gel and solvent of the filtrate obtained is evaporated. 3.6 g of the filtration residue obtained are dissolved in 150 ml of CH3CN, 1.68 g of cerium trichloride heptahydrate and 337 mg of NaI are added and the resulting mixture is stirred at 40° overnight. From the mixture obtained solvent is evaporated and the evaporation residue obtained is treated with EtAc. The mixture obtained is extracted with aqueous 1 M HCI, saturated aqueous NaHCO3 solution and brine. The organic layer obtained is dried, solvent is evaporated and the evaporation residue obtained is subjected to filtration over silica gel and solvent of the filtrate obtained is evaporated. 494 mg of the evaporation residue obtained and 1.18 g of magnesium monoperoxyphthalic acid hexahydrate in 36 ml ofEtOH/H2O (1 :1) are stirred at RT and diluted with EtAc. The mixture obtained is extracted with aqueous 1M HCI. The organic layer obtained is dried, solvent is evaporated and the evaporation residue is subjected to filtration and solvent of the filtrate obtained is evaporated. To a solution of 60 mg of the evaporation residue obtained, 71 mg of 3,5- bis(trifluoromethyl)phenylsulfonamide, 94 mg of EDC and 30 mg of DMAP in 2 ml of DMF and 84 μl of DIEA are added and the mixture obtained is snaked at RT. From the mixture obtained solvent is removed and the concentrated residue obtained is subjected to preparative HPLC on an RP-18 column (CH3CN/H2O (0.1% TFA). 4-(3,5- Bis-trifluoromethyl-benzenesulfonylaminocarbonyl)-cis -3-methyl-piperidine-i- carboxylic acid tert.-butyl ester and 4-(3,5- Bis-trifluoromethyl-benzenesulfonyl- aminocarbonyl)-trans-3-methyl-piperidine-1 -carboxylic acid tert.-butyl ester are obtained.
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; B 18 ml of a sodium bis(trimethylsilyl)amide solution (2M) in THF are added to a suspension of 12.4 g of methoxymethyltriphenylphosphonium chloride in 25 ml of dry THF at 0°. To the mixture obtained, 5.87 g of 3-methyl-4-oxo-piperidine-1-carboxylic acid tertbutyl ester in 25 ml of THF are slowly added, the mixture obtained is stirred at 0°, diluted with EtAc and extracted with aqueous 1M HCI, saturated aqueous NaHCO3 solution and brine. The organic EPO layer obtained is dried and solvent is evaporated. The evaporation residue obtained is subjected to filtration over silica gel and solvent of the filtrate obtained is evaporated. 3.6 g of the filtration residue obtained are dissolved in 150 ml of CH3CN, 1.68 g of cerium trichloride heptahydrate and 337 mg of NaI are added and the resulting mixture is stirred at 40° overnight. From the mixture obtained solvent is evaporated and the evaporation residue obtained is treated with EtAc. The mixture obtained is extracted with aqueous 1 M HCI, saturated aqueous NaHCO3 solution and brine. The organic layer obtained is dried, solvent is evaporated and the evaporation residue obtained is subjected to filtration over silica gel and solvent of the filtrate obtained is evaporated. 494 mg of the evaporation residue obtained and 1.18 g of magnesium monoperoxyphthalic acid hexahydrate in 36 ml ofEtOH/H2O (1 :1) are stirred at RT and diluted with EtAc. The mixture obtained is extracted with aqueous 1M HCI. The organic layer obtained is dried, solvent is evaporated and the evaporation residue is subjected to filtration and solvent of the filtrate obtained is evaporated. To a solution of 60 mg of the evaporation residue obtained, 71 mg of 3,5- bis(trifluoromethyl)phenylsulfonamide, 94 mg of EDC and 30 mg of DMAP in 2 ml of DMF and 84 μl of DIEA are added and the mixture obtained is snaked at RT. From the mixture obtained solvent is removed and the concentrated residue obtained is subjected to preparative HPLC on an RP-18 column (CH3CN/H2O (0.1% TFA). 4-(3,5- Bis-trifluoromethyl-benzenesulfonylaminocarbonyl)-cis -3-methyl-piperidine-i- carboxylic acid tert.-butyl ester and 4-(3,5- Bis-trifluoromethyl-benzenesulfonyl- aminocarbonyl)-trans-3-methyl-piperidine-1 -carboxylic acid tert.-butyl ester are obtained.
  • 3
  • [ 512822-50-3 ]
  • [ 537050-14-9 ]
  • 3-methylpiperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-[2-(4-fluoro-3-trifluoromethylphenyl)-2-oxoethyl] ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
With caesium carbonate; In acetone; at 20℃; for 0.5h; To a solution of 2-bromo-1 -(4-fluoro-3-trifluoromethyl-phenyl)-ethanone (1000.00 mg; 3.51 mmol; 1 .00 eq.) and 3-methyl-piperidine-1 ,4-dicarboxylic acid 1 -tert-butyl ester (981 .62 mg; 4.03 mmol; 1 .15 eq.) in 10ml acetone, was added cesium carbonate (1714.6 mg; 5.26 mmol; 1 .50 eq.). The resulting mixture was stirred at RT for 30min. LC-MS showed the reaction was done with the desired product formed. The reaction solution was poured to 50 ml of ethyl acetate and washed with 5% NaHC03 aqueous solution, then brine. The organic phase was dried and concentrated to afford the title compound, which was directly used for the next step reaction. LC-MS (M+H = 448, obsd = 448).
  • 4
  • [ 512822-50-3 ]
  • [ 19962-04-0 ]
  • trans-3-(1-Boc-3-methylpiperidine-4-carboxamido)phenyl N,N-dimethylcarbamate [ No CAS ]
  • cis-3-(1-Boc-3-methylpiperidine-4-carboxamido)phenyl N,N-dimethylcarbamate [ No CAS ]
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