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2-Methyltetrahydrofuran → 4-(7-Azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)aniline

HRID 1943047
ノート
印刷プレビュー

反応式

HRID 1943047 の反応式
Cl.[CH:2]12[N:8]([C:9]3[CH:15]=[CH:14][C:12]([NH2:13])=[C:11]([C:16]([F:19])([F:18])[F:17])[CH:10]=3)[CH:5]([CH2:6][CH2:7]1)[CH2:4][CH2:3]2.[N+](C1C=CC(N2C3CCC2CC3)=CC=1C(F)(F)F)([O-])=O.CC1CCCO1>[Pd]>[CH:5]12[N:8]([C:9]3[CH:15]=[CH:14][C:12]([NH2:13])=[C:11]([C:16]([F:19])([F:17])[F:18])[CH:10]=3)[CH:2]([CH2:3][CH2:4]1)[CH2:7][CH2:6]2
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 3

HCID 73012-MethyltetrahydrofuranHCID 575168437-[4-Nitro-3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptaneHCID 670026364-(7-Azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)aniline hydrochloride

生成物 1

HCID 529133904-(7-Azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)aniline

試薬・触媒・溶媒 1

HCID 23938Palladium触媒

実験手順

Preparation 4-(7-azabicyclo[2.2.1]heptan-7-yl)-2 -(trifluoromethyl)aniline hydrochloride (11B), method 1. Palladium on carbon (150 g, 5% w/w) was charged into a Büchi Hydrogenator (20 L capacity) under a nitrogen atmosphere, followed by the addition of 7-[4-nitro-3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane (10A, 1500 g), as prepared in Example 2A (method 2) above, and 2-methyltetrahydrofuran (10.5 L, 7 vol). The hydrogenator was then purged with Hydrogen gas and then continuously charged to the mixture at a pressure of 0.5 bar above atmospheric pressure. The mixture was then stirred at a temperature between 18° C. and 23° C. by cooling the vessel jacket. A vacuum was applied to the vessel when no more hydrogen gas was consumed and when there was no further exotherm. Nitrogen gas was then charged into the vessel at 0.5 bar and a vacuum was reapplied, followed by a second charge of 0.5 bar nitrogen gas. When the HPLC of a filtered aliquot showed that none of 7-[4-nitro-3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane (10A) remained (e.g., ≦0.5%), the reaction mixture was transferred to a receiving flask under nitrogen atmosphere via a filter funnel using a Celite filter. The Celite filter cake was washed with 2-methyltetrahydrofuran (3 L, 2 vol). The washings and filtrate were charged into a vessel equipped with stirring, temperature control, and a nitrogen atmosphere. 4M HCl in 1,4-dioxane (1 vol) was added continuously over 1 h into the vessel at 20° C. The mixture was stirred for at least an additional 10 h, filtered, and washed with 2-methyltetrahydrofuran (2 vol) and dried to generate 1519 g of the hydrochloride salt of 4-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)aniline (11B) as a white crystalline solid.

後処理

  1. customThe hydrogenator was then purged with Hydrogen gas
  2. additioncontinuously charged to the mixture at a pressure of 0.5 bar above atmospheric pressure
  3. temperatureby cooling the vessel jacket
  4. customwas consumed
  5. additionNitrogen gas was then charged into the vessel at 0.5 bar
  6. additiona second charge of 0.5 bar nitrogen gas
  7. customthe reaction mixture was transferred to a receiving flask under nitrogen atmosphere via a filter funnel
  8. filtrationfilter
  9. filtrationThe Celite filter cake
  10. washwas washed with 2-methyltetrahydrofuran (3 L, 2 vol)
  11. additionThe washings and filtrate were charged into a vessel
  12. customequipped
  13. stirringwith stirring
  14. addition4M HCl in 1,4-dioxane (1 vol) was added continuously over 1 h into the vessel at 20° C
  15. stirringThe mixture was stirred for at least an additional 10 h
  16. filtrationfiltered
  17. washwashed with 2-methyltetrahydrofuran (2 vol)
  18. customdried

出典と根拠

ORDレコード
ord-4254ff77733d416bb3806ce63d059a43
出典データセット
uspto-grants-2013_03
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08389727B2

反応ノート

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