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Formaldehyde → 6-Benzyloxy-4-methoxymethyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid isopropyl ester

HRID 36329
ノート
印刷プレビュー

反応式

HRID 36329 の反応式
[CH2:1]=O.[CH:3]([O:6][C:7](=[O:31])[CH:8]([NH2:30])[CH:9]([C:13]1[C:21]2[C:16](=[CH:17][CH:18]=[C:19]([O:22][CH2:23][C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=3)[CH:20]=2)[NH:15][CH:14]=1)[CH2:10][O:11][CH3:12])([CH3:5])[CH3:4]>O.Cl>[CH:3]([O:6][C:7]([CH:8]1[CH:9]([CH2:10][O:11][CH3:12])[C:13]2[C:21]3[C:16](=[CH:17][CH:18]=[C:19]([O:22][CH2:23][C:24]4[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=4)[CH:20]=3)[NH:15][C:14]=2[CH2:1][NH:30]1)=[O:31])([CH3:5])[CH3:4]
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 2

HCID 712Formaldehyde2 回HCID 140762742-Amino-3-(5-benzyloxyindol-3-yl)-4-methoxybutyric acid isopropyl ester

生成物 1

HCID 110800626-Benzyloxy-4-methoxymethyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid isopropyl ester収率 85%

試薬・触媒・溶媒 2

HCID 313Hydrochloric Acid溶媒2 回HCID 962Water
溶媒
2 回

反応条件

温度
80 °C

実験手順

A solution is prepared from 3.8 g of 2-amino-3-(5-benzyloxyindol-3-yl)-4-methoxybutyric acid isopropyl ester (10 mmol) in 80 ml of xylene and added dropwise to a suspension of 360 mg of paraformaldehyde in 60 ml of xylene heated for 45 minutes to 100° C. The mixture is then refluxed for 2 hours on a water trap. After concentration, the residue is chromatographed over silica gel with methylene chloride:acetone=1:1 as the eluent, yielding 2.5 g of 6-benzyloxy-4-methoxymethyl-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid isopropyl ester (65% yield as an oil); or a suspension of 2.56 g of paraformaldehyde in 8 ml of water and 0.8 ml of concentrated hydrochloric acid is refluxed at 80° C. for 1 hour. One-tenth of the thus-obtained clear solution is added dropwise, after cooling to room temperature, to a solution of 3.8 g (10 mmol) of 2-amino-3-(5-benzyloxyindol-3 -yl)-4-methoxybutyric acid isopropyl ester in 500 ml of water and 10 ml of concentrated hydrochloric acid (pH=3). After 1/2 hour of agitation, an estimate of the amount of amino compound still remaining is made by thin-layer chromatography, and a corresponding quantity of formaldehyde solution is added. Thereupon, the mixture is stirred for another hour and then extracted twice by shaking with 50 ml of toluene, respectively. The organic phase is discarded. The aqueous phase is adjusted, after adding 100 ml of toluene, to a pH of 5.3 with 27% strength sodium hydroxide solution. After extraction by shaking, the mixture is additionally extracted by shaking twice with 50 ml of toluene; these 3 organic phases are combined, dried over sodium sulfate, filtered, and concentrated, thus obtaining 3.3 g (85%) of 6-benzyloxy-4-methoxymethyl-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid isopropyl ester as an oil.

後処理

  1. additionOne-tenth of the thus-obtained clear solution is added dropwise
  2. extractionextracted twice
  3. stirringby shaking with 50 ml of toluene
  4. additionafter adding 100 ml of toluene
  5. extractionAfter extraction
  6. stirringby shaking
  7. extractionthe mixture is additionally extracted
  8. stirringby shaking twice with 50 ml of toluene
  9. dry with materialdried over sodium sulfate
  10. filtrationfiltered
  11. concentrationconcentrated

出典と根拠

ORDレコード
ord-1df44383f9f64ae9b72874a994139ae6
出典データセット
uspto-grants-1995_05
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US05414002

反応ノート

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