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Diisopropylethylamine → (R)-tert-Butyl (1-(3-methoxy-4-(methylamino)-5-nitrobenzoyl)piperidin-3-yl)carbamate

HRID 2275009
ノート
印刷プレビュー

反応式

HRID 2275009 の反応式
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:9]=[C:10]([N+:14]([O-:16])=[O:15])[C:11]=1[NH:12][CH3:13])[C:6]([OH:8])=O.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C.[NH:50]1[CH2:55][CH2:54][CH2:53][C@@H:52]([NH:56][C:57](=[O:63])[O:58][C:59]([CH3:62])([CH3:61])[CH3:60])[CH2:51]1>CN(C)C=O.C(Cl)Cl>[C:59]([O:58][C:57](=[O:63])[NH:56][C@@H:52]1[CH2:53][CH2:54][CH2:55][N:50]([C:6](=[O:8])[C:5]2[CH:9]=[C:10]([N+:14]([O-:16])=[O:15])[C:11]([NH:12][CH3:13])=[C:3]([O:2][CH3:1])[CH:4]=2)[CH2:51]1)([CH3:62])([CH3:60])[CH3:61]
参加物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 81531Diisopropylethylamine2 回HCID 1514172(3R)-3-Aminopiperidine, 3-BOC protectedHCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 86340156HCID 86340156、化合物

生成物 1

HCID 86340183(R)-tert-Butyl (1-(3-methoxy-4-(methylamino)-5-nitrobenzoyl)piperidin-3-yl)carbamate

試薬・触媒・溶媒 2

HCID 6228Dimethylformamide溶媒HCID 6344Dichloromethane溶媒

実験手順

To a solution of 3-methoxy-4-(methylamino)-5-nitrobenzoic acid (11.09 g, 49.0 mmol) and HATU (18.64 g, 49.0 mmol) in N,N-dimethylformamide (DMF) (300 mL) was added DIPEA (17.13 mL, 98 mmol) and the mixture stirred for 30 mins. Upon addition of the DIPEA the mixture went cloudy after ˜1 min with stirring. (R)-tert-Butyl piperidin-3-ylcarbamate (9.82 g, 49.0 mmol) was then added and stirred for 1.5 hr, after which time LCMS showed the reaction was complete. To 5 mL of the reaction mixture was added sat.aq. LiCl solution (5 mL) and Et2O (10 mL) and the layers separated. The aqueous layer was re-extracted with Et2O (2×10 mL), the combined organics were backwashed with water (10 mL), dried with Na2SO4, filtered and concentrated in vacuo to give the crude product as an orange gum. The gum was dissolved in the minimum amount of DCM and purified by Si SNAP 25 g column using a 50-100% ethyl acetate/cyclohexane. The appropriate fractions were combined and evaporated in vacuo before being azeotroped with cyclohexane and dried under vacuum to give the required product, 281 mg as an orange solid. The remaining reaction mixture was concentrated in vacuo to remove some of the DMF. Saturated aq.LiCl solution (300 mL) and Et2O (700 mL) were added and the mixture separated. The aqueous layer was re-extracted with Et2O (2×700 mL), the combined organic layers were backwashed with water (1 L), dried with Na2SO4, filtered and concentrated in vacuo to give the crude product as an orange gum. This was purified on a 340 g SNAP silica cartridge eluting with 30%-60% ethyl acetate in cyclohexane. Appropriate fractions were combined and concentrated in vacuo to yield the title compound as an orange solid (19.4 g).

後処理

  1. waitwent cloudy after ˜1 min
  2. stirringwith stirring
  3. stirringstirred for 1.5 hr
  4. customLiCl solution (5 mL) and Et2O (10 mL) and the layers separated
  5. extractionThe aqueous layer was re-extracted with Et2O (2×10 mL)
  6. dry with materialdried with Na2SO4
  7. filtrationfiltered
  8. concentrationconcentrated in vacuo
  9. customto give the crude product as an orange gum
  10. custompurified by Si SNAP 25 g column
  11. customevaporated in vacuo
  12. custombefore being azeotroped with cyclohexane
  13. customdried under vacuum

出典と根拠

ORDレコード
ord-ff1b10dfca0e4fc48b2382cc28d6a90a
出典データセット
uspto-grants-2015_09
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09127003B2

反応ノート

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