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1,1-dimethylethyl 4-{3-methyl-4-[(methyloxy)carbonyl]-2-oxo-1-imidazolidinyl}-3,6-dihydro-1(2H)-pyridinecarboxylate → 1,1-Dimethylethyl 4-{3-methyl-4-[(methyloxy)carbonyl]-2-oxo-1-imidazolidinyl}-1-piperidinecarboxylate

HRID 2080966
ノート
印刷プレビュー

反応式

HRID 2080966 の反応式
CN1C(C(OC)=O)CNC1=O.[CH3:12][N:13]1[CH:17]([C:18]([O:20][CH3:21])=[O:19])[CH2:16][N:15]([C:22]2[CH2:23][CH2:24][N:25]([C:28]([O:30][C:31]([CH3:34])([CH3:33])[CH3:32])=[O:29])[CH2:26][CH:27]=2)[C:14]1=[O:35]>C(OCC)(=O)C.[Pd]>[CH3:12][N:13]1[CH:17]([C:18]([O:20][CH3:21])=[O:19])[CH2:16][N:15]([CH:22]2[CH2:23][CH2:24][N:25]([C:28]([O:30][C:31]([CH3:33])([CH3:32])[CH3:34])=[O:29])[CH2:26][CH2:27]2)[C:14]1=[O:35]
参加物実験手順後処理出典と根拠反応ノート

参加物

5

反応物 2

HCID 671033381,1-dimethylethyl 4-{3-methyl-4-[(methyloxy)carbonyl]-2-oxo-1-imidazolidinyl}-3,6-dihydro-1(2H)-pyridinecarboxylateHCID 67103585Methyl 3-methyl-2-oxo-4-imidazolidinecarboxylate

生成物 1

HCID 671033471,1-Dimethylethyl 4-{3-methyl-4-[(methyloxy)carbonyl]-2-oxo-1-imidazolidinyl}-1-piperidinecarboxylate収率 15%

試薬・触媒・溶媒 2

HCID 23938Palladium触媒
HCID 8857
Ethyl Acetate
溶媒

実験手順

A solution of 1,1-dimethylethyl 4-oxo-1-piperidinecarboxylate (3.0 g, 15 mmol) in THF (45 ml) was stirred at −78° C. under argon. Lithium hexamethyldisilazide (15 ml, 15 mmol, 1M solution in THF) was added dropwise and the reaction was stirred at −78° C. for 1 hour. A solution of 1,1,1-trifluoro-N-phenyl-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (6.43 g, 18 mmol) in THF (12 ml) was added dropwise. The reaction was allowed to warm to room temperature over 2 hours. The reaction was quenched by the addition of water and the THF was evaporated. The residue was extracted with ether. The ether layer was separated and washed with water, 2N sodium hydroxide solution, water and brine, dried and evaporated. The residue was purified by silica gel chromatography eluting with 5-25% ethyl acetate in hexanes to give 1,1-dimethylethyl 4-{[(trifluoromethyl)sulfonyl]oxy}-3,6-dihydro-1(2H)-pyridinecarboxylate (2.91 g, 59%). (ii) A solution of 1,1-dimethylethyl 4-{[(trifluoromethyl)sulfonyl]oxy}-3,6-dihydro-1(2H)-pyridinecarboxylate (2.65 g, 8 mmol), methyl 3-methyl-2-oxo-4-imidazolidinecarboxylate (1.26 g, 8 mmol) (prepared as described in step (ii) of Example 8) in 1,4-dioxane (50 ml) was treated with cesium carbonate (3.91 g, 12 mmol), Xantphos™ (348 mg, 0.6 mmol) and tris(dibenzylideneacetone)dipalladium(0) (183 mg, 0.2 mmol). The mixture was flushed with argon and the reaction was heated at reflux for 1 hour. After cooling to room temperature, the reaction mixture was diluted with water and extracted with ethyl acetate. The organic layers were washed with water and brine, dried and evaporated. The residue was purified by silica gel chromatography eluting with 0-100% ethyl acetate in hexanes to give 1,1-dimethylethyl 4-{3-methyl-4-[(methyloxy)carbonyl]-2-oxo-1-imidazolidinyl}-3,6-dihydro-1(2H)-pyridinecarboxylate (1.7 g, 63%), LC/MS [M+H]+=340. (iii) A solution of 1,1-dimethylethyl 4-{3-methyl-4-[(methyloxy)carbonyl]-2-oxo-1-imidazolidinyl}-3,6-dihydro-1(2H)-pyridinecarboxylate (1.36 g, 4 mmol) in ethyl acetate (30 ml) containing palladium on charcoal (100 mg, 10% paste) was hydrogenated at room temperature and pressure for 24 hours. The mixture was filtered through Celite and the filtrate was evaporated. The residue was purified by silica gel chromatography eluting with 50-100% ethyl acetate in hexanes to give 1,1-dimethylethyl 4-{3-methyl-4-[(methyloxy)carbonyl]-2-oxo-1-imidazolidinyl}-1-piperidinecarboxylate (205 mg, 15%), LC/MS [M+H]+=342. (iv) A solution of 1,1-dimethylethyl 4-{3-methyl-4-[(methyloxy)carbonyl]-2-oxo-1-imidazolidinyl}-1-piperidinecarboxylate (200 mg, 0.58 mmol) in THF (3 ml) was stirred at 0° C. A solution of lithium hydroxide (15 mg, 0.64 mmol) in water (2 ml) was added and the reaction was stirred at 0° C. under argon for 90 minutes. The solution was acidified to pH 4 with 2N hydrochloric acid and the solvent was evaporated. The residue was co-evaporated with toluene and the residue dried over phosphorous pentoxide under high vacuum to give crude 1-(1-{[(1,1-dimethylethyl)oxy]carbonyl}-4-piperidinyl)-3-methyl-2-oxo-4-imidazolidinecarboxylic acid which was used in the next step, LC/MS [M+H]+=328. (v) To a stirred suspension of 1-(1-{[(1,1-dimethylethyl)oxy]carbonyl}-4-piperidinyl)-3-methyl-2-oxo-4-imidazolidinecarboxylic acid (0.55 mmol) in dichloromethane (10 ml) was added 1-hydroxybenzotriazole hydrate (89 mg, 0.66 mmol), 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride (127 mg, 0.66 mmol) and N-ethyl morpholine (0.21 ml, 1.65 mmol) and the mixture was stirred at room temperature for 15 minutes. A solution of {[2-chloro-3-(trifluoromethyl)phenyl]methyl}amine (115 mg, 0.55 mmol) was added and the reaction was stirred at room temperature for 3 hours. The reaction was diluted with dichloromethane and the solution was washed with saturated sodium hydrogen carbonate solution, water, citric acid solution, water and brine, dried and evaporated. The residue was purified by silica gel chromatography eluting with 5-10% methanol in dichloromethane to give 1,1-dimethylethyl 4-{4-[({[2-chloro-3-(trifluoromethyl)phenyl]methyl}amino)carbonyl]-3-methyl-2-oxo-1-imidazolidinyl}-1-piperidinecarboxylate (243 mg, 85%), LC/MS [M+H]+=519, retention time=2.89 minutes.

後処理

  1. customwas hydrogenated at room temperature
  2. filtrationThe mixture was filtered through Celite
  3. customthe filtrate was evaporated
  4. customThe residue was purified by silica gel chromatography
  5. washeluting with 50-100% ethyl acetate in hexanes

出典と根拠

ORDレコード
ord-3d31306c305f49a09b0c84d54c44ae2c
出典データセット
uspto-grants-2011_04
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07932282B2

反応ノート

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