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

HRID 1069592
笔记
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反应方程式

HRID 1069592 反应方程式
[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.C1(CN2C3C(=CC=CC=3)C(CC(N)=O)=C2)C=CC=CC=1.B(Br)(Br)[Br:45].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:45])[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
参与物实验过程后处理来源与证据反应笔记

参与物

7

反应物 4

HCID 313盐酸HCID 10563579(phenylmethyl)-1H-indole-3-acetamideHCID 108093422-bromo-5-methoxy-1-(phenylmethyl)-1H-indole-3-acetamideHCID 22277759Boron tribromide dichloromethane

产物 2

HCID 105946062-bromo-5-hydroxy-1-(phenylmethyl)-1H-indole-3-acetamideHCID 21191901
2,4-dibromo-5-hydroxy-1-(phenylmethyl)-1H-indole-3-acetamide

试剂、催化剂与溶剂 1

HCID 6344二氯甲烷溶剂

实验过程

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-]-(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 CH2Cl2 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/CH2Cl2→4% MeOH/CH2Cl2) to give in the early fraction 2,4-dibromo-5-hydroxyl-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.

后处理

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

来源与证据

ORD记录
ord-78a08d3923ce4a18b11be768f9fbd532
来源数据集
uspto-grants-2001_06
DOI
10.6084/m9.figshare.5104873.v1
专利号
US06252084B1

反应笔记

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本页导航参与物实验过程后处理来源与证据反应笔记