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1,2-Dimethoxyethane → 1-Methyl-4-(2'-methyl-6-nitro-biphenyl-3-yl)-piperazine

HRID 1043272
ノート
印刷プレビュー

反応式

HRID 1043272 の反応式
Br[C:2]1[CH:3]=[C:4]([N:11]2[CH2:16][CH2:15][N:14]([CH3:17])[CH2:13][CH2:12]2)[CH:5]=[CH:6][C:7]=1[N+:8]([O-:10])=[O:9].C([O-])([O-])=O.[Na+].[Na+].[CH2:24]([CH2:27]OC)OC>C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[CH3:17][N:14]1[CH2:15][CH2:16][N:11]([C:4]2[CH:3]=[C:2]([C:4]3[CH:3]=[CH:2][CH:7]=[CH:6][C:24]=3[CH3:27])[C:7]([N+:8]([O-:10])=[O:9])=[CH:6][CH:5]=2)[CH2:12][CH2:13]1
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

5

反応物 3

HCID 80711,2-DimethoxyethaneHCID 10340Sodium CarbonateHCID 117815411-(3-Bromo-4-nitrophenyl)-4-methylpiperazine

生成物 1

HCID 591285961-Methyl-4-(2'-methyl-6-nitro-biphenyl-3-yl)-piperazine

試薬・触媒・溶媒 1

HCID 178418397HCID 178418397、化合物触媒

反応条件

温度
80 °C

実験手順

A mixture of 200 mg (0.666 mmol) 1-(3-bromo-4-nitro-phenyl)-4-methyl-piperazine (as prepared in the previous step), 136 mg (0.999 mmol) and 77.0 mg (0.0666 mmol) of tetrakis(triphenylphosphine)palladium (0) under Ar was added 4.0 mL of degassed dimethoxyethane (DME) and 400 μL (0.799 mmol) of 2.0 M aq Na2CO3. The mixture was heated with stirring under Ar at 80° C. for 14 h. The cooled (RT) mixture was concentrated and chromatographed on a 10-g silica SPE column with 1-5% MeOH in dichloromethane-hexane (1:1). The product fractions were treated with 80 mg of decolorizing carbon, filtered, concentrated, and then rechromatographed on a similar column with 1-3% EtOH-dichloromethane to afford 265 mg of the title compound as a yellow resin (75% purity by 1H-NMR as a mixture with triphenylphosphine) that was used in the following reaction without further purification: Mass spectrum (ESI, m/z): Calcd. for C11H21N3O3, 312.2 (M+H). found 312.2.

後処理

  1. temperatureThe mixture was heated
  2. temperatureThe cooled (RT) mixture
  3. concentrationwas concentrated
  4. customchromatographed on a 10-g silica SPE column with 1-5% MeOH in dichloromethane-hexane (1:1)
  5. additionThe product fractions were treated with 80 mg of decolorizing carbon
  6. filtrationfiltered
  7. concentrationconcentrated
  8. customrechromatographed on a similar column with 1-3% EtOH-dichloromethane

出典と根拠

ORDレコード
ord-66396a997dba46b7b59712e62d8561de
出典データセット
uspto-grants-2013_10
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08557847B2

反応ノート

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