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Trifluoroacetic acid → 3-Methyl-4-oxo-5-(2-pyrrolidin-1-yl-ethyl)-1,4,5,6,7,8-hexahydro-pyrrolo[3,2-c]azepine-2-carbaldehyde

HRID 2191452
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HRID 2191452 반응식
C([O:5][C:6]([C:8]1[NH:17][C:16]2[CH2:15][CH2:14][CH2:13][N:12]([CH2:18][CH2:19][N:20]3[CH2:24][CH2:23][CH2:22][CH2:21]3)[C:11](=[O:25])[C:10]=2[C:9]=1[CH3:26])=O)(C)(C)C.FC(F)(F)C(O)=O.C(OC(OCC)OCC)C.[OH-].[Na+]>ClCCl.O>[CH3:26][C:9]1[C:10]2[C:11](=[O:25])[N:12]([CH2:18][CH2:19][N:20]3[CH2:24][CH2:23][CH2:22][CH2:21]3)[CH2:13][CH2:14][CH2:15][C:16]=2[NH:17][C:8]=1[CH:6]=[O:5]
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7

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HCID 6422Trifluoroacetic acidHCID 14798Sodium HydroxideHCID 31214Ethyl orthoformateHCID 592500843-Methyl-4-oxo-5-(2-pyrrolidin-1-yl-ethyl)-1,4,5,6,7,8-hexahydro-pyrrolo[3,2-c]azepine-2-carboxylic acid tert-butyl ester

생성물 1

HCID 592500963-Methyl-4-oxo-5-(2-pyrrolidin-1-yl-ethyl)-1,4,5,6,7,8-hexahydro-pyrrolo[3,2-c]azepine-2-carbaldehyde수율 49%

시약·촉매·용매 2

HCID 962Water용매HCID 6344Dichloromethane용매

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온도
-5 °C

실험 절차

3-Methyl-4-oxo-5-(2-pyrrolidin-1-yl-ethyl)-1,4,5,6,7,8-hexahydro-pyrrolo[3,2-c]azepine-2-carboxylic acid tert-butyl ester 28b (3.562 g, 9.87 mmol) was dissolved in 50 ml of dichloromethane under stirring, and added with trifluoroacetic acid (19.7 ml, 260 mmol) to the solution at room temperature. Upon the completion of the addition, the mixture was heated to reflux for 30 minutes in an oil bath. After thin lay chromatography showed the disappearance of starting materials, the reaction mixture was cooled down to −5° C. in an ice-salt bath, added with triethoxy methane (2.96 ml, 14.8 mmol) in one portion, stirred at −5° C. for 5 minutes, for another 1 hour at room temperature. The reaction system was added with water (25 ml), adjusted to about pH 11 with dilute sodium hydroxide solution (2 mol/L) and extracted with dichloromethane (100 ml×3). The combined organic extracts were concentrated under reduced pressure to obtain a henna oil. The oil was purified by silica gel column chromatography to obtain the title compound 3-methyl-4-oxo-5-(2-pyrrolidin-1-yl-ethyl)-1,4,5,6,7,8-hexahydro-pyrrolo[3,2-c]azepine-2-carbaldehyde 28c (1.116 g, yield 49%) as a yellow solid.

후처리

  1. additionUpon the completion of the addition
  2. temperaturethe mixture was heated
  3. temperatureto reflux for 30 minutes in an oil bath
  4. stirringstirred at −5° C. for 5 minutes, for another 1 hour at room temperature
  5. extractionextracted with dichloromethane (100 ml×3)
  6. concentrationThe combined organic extracts were concentrated under reduced pressure
  7. customto obtain a henna oil
  8. customThe oil was purified by silica gel column chromatography

출처 및 근거

ORD 기록
ord-8e8f0d54f31f42aab493488a10cbffe2
출처 데이터셋
uspto-grants-2012_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08329682B2

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