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Sodium Carbonate → 4-dimethylamino-1-(3-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)-4-phenylcyclohexanol

HRID 1095591
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HRID 1095591 반응식
[NH2:1][C:2]1[CH:7]=[CH:6][N:5]=[CH:4][C:3]=1I.[CH3:9][N:10]([CH3:27])[C:11]1([C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)[CH2:16][CH2:15][C:14]([C:18]#[C:19][CH3:20])([OH:17])[CH2:13][CH2:12]1.[Cl-].[Li+].C(=O)([O-])[O-].[Na+].[Na+]>CN(C)C=O.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2].C(Cl)Cl>[CH3:27][N:10]([CH3:9])[C:11]1([C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)[CH2:16][CH2:15][C:14]([C:18]2[NH:1][C:2]3[CH:7]=[CH:6][N:5]=[CH:4][C:3]=3[C:19]=2[CH3:20])([OH:17])[CH2:13][CH2:12]1
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참가 물질

8

반응물 4

HCID 10340Sodium CarbonateHCID 433294Lithium ChlorideHCID 15165104-Amino-3-iodopyridineHCID 574751584-(Dimethylamino)-4-phenyl-1-(prop-1-ynyl)cyclohexanol

생성물 1

HCID 574751734-dimethylamino-1-(3-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)-4-phenylcyclohexanol수율 21.6%

시약·촉매·용매 3

HCID 44119782
Bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);dichloropalladium;iron(2+)
촉매
HCID 6228Dimethylformamide용매
HCID 6344Dichloromethane용매

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온도
100 °C

실험 절차

4-Amino-3-iodopyridine (2,331 mg, 10.60 mmol), 4-(dimethylamino)-4-phenyl-1-(prop-1-ynyl)cyclohexanol (3,000 mg, 11.66 mmol, diastereomer mixture), lithium chloride (472 mg, 11.13 mmol) and sodium carbonate (3,369 mg, 31.79 mmol) were combined in dimethylformamide (absolute, 45 ml) in an argon atmosphere. The catalyst ([Pd(dppf)Cl2×CH2Cl2], 865 mg, 1.06 mmol) was then added. The red solution was heated at 100° C. (oil bath temperature) for 4 h. The black reaction mixture was cooled to room temperature and water (50 ml; stirring for 10 min), methylene chloride (50 ml) and saturated sodium chloride solution (100 ml for better phase separation) were added in succession. The phases were separated. The mixture was filtered over kieselguhr beforehand. The aqueous phase was extracted with methylene chloride (3×30 ml). The combined organic phases were washed with saturated sodium chloride solution (3×20 ml), dried with sodium sulfate and filtered and the volatile constituents were then removed completely in vacuo. The residue was absorbed on silica gel and separated by chromatography (silica gel [200 g]; chloroform/ethanol [9:1 1,000 ml, 5:1, 500 ml, 3:1, 500 ml, 1:1, 500 ml and 1:3, 500 ml]). 800 mg of 4-dimethylamino-1-(3-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)-4-phenylcyclohexanol (non-polar diastereoisomer) were isolated as a colourless solid and 765 mg of the polar diastereoisomer were isolated as a colourless solid.

후처리

  1. customThe black reaction mixture
  2. temperaturewas cooled to room temperature
  3. customwater (50 ml; stirring for 10 min), methylene chloride (50 ml) and saturated sodium chloride solution (100 ml for better phase separation)
  4. additionwere added in succession
  5. customThe phases were separated
  6. filtrationThe mixture was filtered over kieselguhr beforehand
  7. extractionThe aqueous phase was extracted with methylene chloride (3×30 ml)
  8. washThe combined organic phases were washed with saturated sodium chloride solution (3×20 ml)
  9. dry with materialdried with sodium sulfate
  10. filtrationfiltered
  11. customthe volatile constituents were then removed completely in vacuo
  12. customThe residue was absorbed on silica gel
  13. customseparated by chromatography (silica gel [200 g]; chloroform/ethanol [9:1 1,000 ml, 5:1, 500 ml, 3:1, 500 ml, 1:1, 500 ml and 1:3, 500 ml])

출처 및 근거

ORD 기록
ord-7913f8f85e334f5890e4b95a90434cf0
출처 데이터셋
uspto-grants-2012_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08138187B2

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