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Triethylamine → 2-[2-(2,5-Dimethyl-phenyl)-acetyl]-5-methoxy-[1,2,5]triazepane-1-carboxylic acid ethyl ester

HRID 924604
ノート
印刷プレビュー

反応式

HRID 924604 の反応式
Cl.[CH2:2]([O:4][C:5]([N:7]1[CH2:13][CH2:12][N:11]([O:14][CH3:15])[CH2:10][CH2:9][NH:8]1)=[O:6])[CH3:3].C(N(CC)CC)C.[CH3:23][C:24]1[CH:29]=[CH:28][C:27]([CH3:30])=[CH:26][C:25]=1[CH2:31][C:32](Cl)=[O:33]>CN(C)C1C=CN=CC=1.O1CCCC1>[CH2:2]([O:4][C:5]([N:7]1[CH2:13][CH2:12][N:11]([O:14][CH3:15])[CH2:10][CH2:9][N:8]1[C:32](=[O:33])[CH2:31][C:25]1[CH:26]=[C:27]([CH3:30])[CH:28]=[CH:29][C:24]=1[CH3:23])=[O:6])[CH3:3]
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

6

反応物 3

HCID 8471TriethylamineHCID 22561615(2,5-Dimethylphenyl)acetyl chlorideHCID 867199195-Methoxy-[1,2,5]triazepane-1-carboxylic acid ethyl ester hydrochloride salt

生成物 1

HCID 867199182-[2-(2,5-Dimethyl-phenyl)-acetyl]-5-methoxy-[1,2,5]triazepane-1-carboxylic acid ethyl ester

試薬・触媒・溶媒 2

HCID 142844-(Dimethylamino)pyridine触媒
HCID 8028
Tetrahydrofuran
溶媒
2 回

反応条件

温度
2.5 °C

実験手順

To a solution of 5-methoxy-[1,2,5]triazepane-1-carboxylic acid ethyl ester hydrochloride salt (1.33 g, 4.84 mmol), triethylamine (1.68 ml, 1.22 g, 12.07 mmol) and a catalytic amount of 4-dimethylaminopyridine in tetrahydrofuran (20 ml) at 0-5° C. was added a solution of (2,5-dimethyl-phenyl)-acetyl chloride (0.93 g, 5.09 mmol) in tetrahydrofuran (5 ml) dropwise. The suspension was stirred at 0-5° C. for one hour, and at room temperature for 4 hours. The solvent was evaporated, the residue diluted with ethyl acetate (50 ml) and water (20 ml), the layers separated and the aqueous phase extracted with ethyl acetate (2×25 ml). The combined organic layers were washed with water (2×20 ml) and brine (20 ml), dried over sodium sulfate and concentrated. The residue was purified by chromatography on silica gel (cyclohexane/ethyl acetate 2:1). Yield: 1.1 g of 2-[2-(2,5-dimethyl-phenyl)-acetyl]-5-methoxy-[1,2,5]triazepane-1-carboxylic acid ethyl ester (compound P3.3) as a viscous oil. 1H-NMR (400 MHz, CD3OD): δ 1.14-1.39 (br m, 3H), 2.18 (s, 3H), 2.26 (s, 3H), 2.83-3.09 (br m, 4H), 3.13-3.32 (br m, 2H), 3.48 (s, 3H), 3.62 (br s, 2H), 3.78-4.32 (br m, overlapping signals, total 4H), 6.91 (s, 1H), 6.95 (d, J=7.8 Hz, 1H), 7.03 (d, J=7.8 Hz, 1H) ppm.

後処理

  1. waitat room temperature for 4 hours
  2. customThe solvent was evaporated
  3. additionthe residue diluted with ethyl acetate (50 ml) and water (20 ml)
  4. customthe layers separated
  5. extractionthe aqueous phase extracted with ethyl acetate (2×25 ml)
  6. washThe combined organic layers were washed with water (2×20 ml) and brine (20 ml)
  7. dry with materialdried over sodium sulfate
  8. concentrationconcentrated
  9. customThe residue was purified by chromatography on silica gel (cyclohexane/ethyl acetate 2:1)

出典と根拠

ORDレコード
ord-e380b1e375d0458182d6a2a0d5d85cd1
出典データセット
uspto-grants-2016_03
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09282743B2

反応ノート

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