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Hydrochloric Acid → 2-bromo-5-hydroxy-1-(phenylmethyl)-1H-indole-3-acetamide

HRID 2292789
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HRID 2292789 반응식
[Br:1][C:2]1[N:3]([CH2:17][C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[C:4]2[C:9]([C:10]=1[CH2:11][C:12]([NH2:14])=[O:13])=[CH:8][C:7]([O:15]C)=[CH:6][CH:5]=2.B(Br)(Br)[Br:25].C(Cl)Cl.Cl>C(Cl)Cl>[Br:1][C:2]1[N:3]([CH2:17][C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[C:4]2[C:9]([C:10]=1[CH2:11][C:12]([NH2:14])=[O:13])=[C:8]([Br:25])[C:7]([OH:15])=[CH:6][CH:5]=2.[Br:1][C:2]1[N:3]([CH2:17][C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[C:4]2[C:9]([C:10]=1[CH2:11][C:12]([NH2:14])=[O:13])=[CH:8][C:7]([OH:15])=[CH:6][CH:5]=2
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참가 물질

6

반응물 3

HCID 313Hydrochloric AcidHCID 108093422-bromo-5-methoxy-1-(phenylmethyl)-1H-indole-3-acetamideHCID 22277759Boron tribromide dichloromethane

생성물 2

HCID 105946062-bromo-5-hydroxy-1-(phenylmethyl)-1H-indole-3-acetamideHCID 211919012,4-dibromo-5-hydroxy-1-(phenylmethyl)-1H-indole-3-acetamide

시약·촉매·용매 1

HCID 6344
Dichloromethane
용매

실험 절차

A solution of 600 mg (1.6 mmol) of 2-bromo-5-methoxy-1-(phenylmethyl)-1H-indole-3-acetamide (lot was contaminated with 2,4-dibromo-5-methoxy-1-(phenylmethyl)-1H-indole-3-acetamide) and 10 mL of 1M BBr3 /CH2Cl2 in 100 mL of CH2Cl2 was stirred for 2.5 hours, 100 mL of 1N HCl added, stirred well, and the CH2 Cl2 layer separated. After washing and drying (Na2SO4), the solvent was removed at reduced pressure. The residue was chromatographed on silica and eluted with a gradient (1% MeOH/CH2 Cl2 →4% MeOH/CH2Cl2) to give in the early fractions 2,4-dibromo-5-hydroxy-1-(phenylmethyl)-1H-indole-3-acetamide (115 mg) and in the later fractions 2-bromo-5-hydroxy-1-(phenylmethyl)-1H-indole-3-acetamide (115 mg). The material from the later fractions (100 mg, 0.28 mmol) was dissolved in 20 mL of DMSO, 20 mg of 60% NaH/mineral was added, and after 10 minutes, 0.1 mL of ethyl 4-bromobutyrate was added. After heating for 1.25 hours at 85° C., the mixture was diluted with water, extracted with EtOAc, and the EtOAc solution washed with water, saturated NaCl solution, dried (Na2SO4), and concentrated at reduced pressure. The residue was chromatographed on silica (eluted with 1% MeOH/CH2Cl2 →3% MeOH/CH2Cl2) to give 80 mg of 4-[[3-(2-amino-2-oxoethyl)-2-bromo-1-(phenylmethyl)-1H-indol-5-yl]oxy]butanoic acid ethyl ester as an oil. This material was dissolved in 20 mL of EtOH, 1 mL of 2N NaOH added, and the mixture stirred for 19 hours. After acidifying with 1N HCl, the mixture was extracted with EtOAc, the EtOAc solution washed with saturated NaCl solution, dried (Na2SO4), and concentrated at reduced pressure. The residue was crystallized from EtOH/ether to give 80 mg of 4-[[3-(2-amino-2-oxoethyl)-2-bromo-1-(phenylmethyl)-1H-indol-5-yl]oxy]-butanoic acid.

후처리

  1. customthe CH2 Cl2 layer separated
  2. washAfter washing
  3. dry with materialdrying (Na2SO4)
  4. customthe solvent was removed at reduced pressure
  5. customThe residue was chromatographed on silica
  6. washeluted with a gradient (1% MeOH/CH2 Cl2 →4% MeOH/CH2Cl2)

출처 및 근거

ORD 기록
ord-5570386dc5994da99328d0693727aaff
출처 데이터셋
uspto-grants-1997_11
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05684034

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