ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.8.0
  1. ホーム
  2. /反応

4-Methylmorpholine → 3-Phthalimido-3-(3,4-diethoxyphenyl)propionitrile

HRID 2351
ノート
印刷プレビュー

反応式

HRID 2351 の反応式
[C:1]1(=[O:28])[N:5]([CH:6]([C:11]2[CH:16]=[CH:15][C:14]([O:17][CH2:18][CH3:19])=[C:13]([O:20][CH2:21][CH3:22])[CH:12]=2)[CH2:7][C:8]([NH2:10])=O)[C:4](=[O:23])[C:3]2=[CH:24][CH:25]=[CH:26][CH:27]=[C:2]12.CN1CCOCC1.S(Cl)(Cl)=O.CC#N.OP(O)(O)=O.C([O-])(O)=O.[Na+]>CN(C=O)C>[C:4]1(=[O:23])[N:5]([CH:6]([C:11]2[CH:16]=[CH:15][C:14]([O:17][CH2:18][CH3:19])=[C:13]([O:20][CH2:21][CH3:22])[CH:12]=2)[CH2:7][C:8]#[N:10])[C:1](=[O:28])[C:2]2=[CH:27][CH:26]=[CH:25][CH:24]=[C:3]12
参加物実験手順後処理出典と根拠反応ノート

参加物

7

反応物 5

HCID 79724-MethylmorpholineHCID 24386Thionyl ChlorideHCID 516892Sodium BicarbonateHCID 100912883-Phthalimido-3-(3,4-diethoxyphenyl)propionamideHCID 22619319Acetonitrile phosphate

生成物 1

HCID 98419883-Phthalimido-3-(3,4-diethoxyphenyl)propionitrile収率 55%

試薬・触媒・溶媒 1

HCID 6228Dimethylformamide溶媒

実験手順

To an ice bath cooled stirred suspension of 3-phthalimido-3-(3,4-diethoxyphenyl)propionamide (0.96 g, 2.5 mmol) and 4-methylmorpholine (0.66 mL, 6 mmol) in DMF (9 mL) under nitrogen, was added thionyl chloride (0.35 mL, 4.8 mmol) dropwise. There was a slight exotherm after which the mixture was stirred at 0°-5° C. for 30 minutes and at room temperature for 2 hours. The reaction was monitored by HPLC (Waters Nova-Pak/C-18 column, 3.9×150 mm, 4 micron, 1 mL/min, 240 nm, 50/50 CH3CN/H3PO4 0.1% (aq)). The reaction mixture was poured into a mixture of NaHCO3 (8.5 mL) and ice (40 g) and stirred until the ice had melted. The mixture was filtered and the solid was washed with copious amounts of H2O. The wet solid was dissolved in CH2Cl2 (25 mL) and the organic layer was separated and dried over MgSO4 and concentrated in vacuo to a sticky semi-solid. The solid was purified twice by flash column chromatography (silica gel, 3 % ethyl acetate/methylene chloride) to afford a solid which was dried in vacuo (50° C., <1 mm) to afford 0.5 g (55%) of product as a pale yellow solid; 1H NMR (CDCl3) δ7.91-7.65(m, 4H), 7.12-6.98(m, 2H), 6.90-6.78(m, 1H), 5.61(dd, J=6.4, 10.3 Hz, 1H), 4.19-3.96(m, 4H), 3.83(dd, J=10.3, 16.8 Hz, 1H), 3.26(dd, J=6.4, 16.8 Hz, 1H), 1.55-1.30(m, 6H); 13C NMR (CDCl3)δ167.7, 149.2, 148.9, 134.3, 131.5, 129.1, 123.6, 120.2, 116.9, 113.2, 112.9, 64.7, 64.5, 51.1, 21.1, 14.7; HPLC 98.4%. Anal. Calcd for C21H20N2 O4. Theoretical: C, 69.22; H,5.53; N,7.69. Found: C, 69.06; H, 5.48; N, 7.58.

後処理

  1. temperatureTo an ice bath cooled
  2. stirringwas stirred at 0°-5° C. for 30 minutes and at room temperature for 2 hours
  3. filtrationThe mixture was filtered
  4. washthe solid was washed with copious amounts of H2O
  5. dissolutionThe wet solid was dissolved in CH2Cl2 (25 mL)
  6. customthe organic layer was separated
  7. dry with materialdried over MgSO4
  8. concentrationconcentrated in vacuo to a sticky semi-solid
  9. customThe solid was purified twice by flash column chromatography (silica gel, 3 % ethyl acetate/methylene chloride)
  10. customto afford a solid which
  11. customwas dried in vacuo (50° C., <1 mm)

出典と根拠

ORDレコード
ord-e365fd6c4897470482774680a6343b87
出典データセット
uspto-grants-1998_03
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US05728845

反応ノート

読み込み中…

このページの内容参加物実験手順後処理出典と根拠反応ノート