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2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl → HCID 86670418、化合物

HRID 1972635
ノート
印刷プレビュー

反応式

HRID 1972635 の反応式
[C:1]([CH:4]1[NH:9][CH2:8][CH2:7][N:6]([C:10]([O:12][CH2:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)=[O:11])[CH2:5]1)#[C:2][CH3:3].Br[C:21]1[CH:26]=[CH:25][C:24]([C:27]([OH:36])([C:32]([F:35])([F:34])[F:33])[C:28]([F:31])([F:30])[F:29])=[CH:23][CH:22]=1.C1(P(C2CCCCC2)C2C=CC=CC=2C2C(OC(C)C)=CC=CC=2OC(C)C)CCCCC1.CC(C)([O-])C.[Na+]>CC(OC1C=CC=C(OC(C)C)C=1C1C(P(C2CCCCC2)C2CCCCC2)=CC=CC=1)C.CC(OC)(C)C.C1C=[C-]C(CCN)=CC=1.Cl[Pd+].C1(C)C=CC=CC=1>[C:1]([CH:4]1[N:9]([C:21]2[CH:26]=[CH:25][C:24]([C:27]([OH:36])([C:32]([F:33])([F:35])[F:34])[C:28]([F:31])([F:29])[F:30])=[CH:23][CH:22]=2)[CH2:8][CH2:7][N:6]([C:10]([O:12][CH2:13][C:14]2[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=2)=[O:11])[CH2:5]1)#[C:2][CH3:3]
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

7

反応物 4

HCID 162179852-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl2 回HCID 232335702-(4-Bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-olHCID 23676156Sodium t-butoxideHCID 66582529HCID 66582529、化合物

生成物 1

HCID 86670418HCID 86670418、化合物

試薬・触媒・溶媒 2

HCID 66572931
HCID 66572931、化合物
触媒
HCID 1140Toluene溶媒

反応条件

温度
100 °C

実験手順

A 150-mL reaction vessel was charged with benzyl 3-(prop-1-yn-1-yl)piperazine-1-carboxylate (2.88 g, 11.2 mmol), 2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (4.36 g, 13.5 mmol, Bioorg. Med. Chem. Lett. 2002, 12, 3009), dicyclohexyl(2′,6′-diisopropoxy-[1,1′-biphenyl]-2-yl)phosphine, RuPhos (0.530 g, 1.14 mmol, Sigma-Aldrich, St. Louis, Mo.), RuPhos Palladacycle (0.417 g, 0.572 mmol, Strem Chemical Inc, Newburyport, Mass.), sodium tert-butoxide (2.73 g, 28.4 mmol, Strem Chemical Inc, Newburyport, Mass.) and toluene (35 mL). The mixture was degassed by bubbling Ar through the solution for 10 min. The vessel was sealed and heated at 100° C. for 1.5 h. The reaction mixture was cooled to room temperature and water (100 mL) was added. The aqueous phase was extracted with EtOAc (3×100 mL) and the combined organic phases were washed with saturated aqueous sodium chloride (150 mL). The organic extracts were dried over sodium sulfate, filtered and concentrated in vacuo. The crude product was purified by column chromatography (100 g of silica, 0 to 50% EtOAc in hexanes) to afford benzyl 3-(1-propyn-1-yl)-4-(4-(2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)phenyl)-1-piperazinecarboxylate as a yellow solid.

後処理

  1. customA 150-mL reaction vessel
  2. customThe mixture was degassed
  3. customby bubbling Ar through the solution for 10 min
  4. customThe vessel was sealed
  5. temperatureThe reaction mixture was cooled to room temperature
  6. additionwater (100 mL) was added
  7. extractionThe aqueous phase was extracted with EtOAc (3×100 mL)
  8. washthe combined organic phases were washed with saturated aqueous sodium chloride (150 mL)
  9. dry with materialThe organic extracts were dried over sodium sulfate
  10. filtrationfiltered
  11. concentrationconcentrated in vacuo
  12. customThe crude product was purified by column chromatography (100 g of silica, 0 to 50% EtOAc in hexanes)

出典と根拠

ORDレコード
ord-fb211b339e20436a91df0200b319d596
出典データセット
uspto-grants-2013_04
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08431563B2

反応ノート

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