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Phosgene → 3-(4-Chlorophenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl 3-(nitrooxy)propyl carbonate

HRID 1643425
ノート
印刷プレビュー

反応式

HRID 1643425 の反応式
[N+:1]([O-:8])([O:3][CH2:4][CH2:5][CH2:6][OH:7])=[O:2].[C:9](Cl)(Cl)=[O:10].[CH3:13][C:14]1[N:19]=[CH:18][C:17]2[CH:20]([C:23]3[CH:24]=[CH:25][C:26]([Cl:29])=[CH:27][CH:28]=3)[O:21][CH2:22][C:16]=2[C:15]=1[OH:30].C(N(C(C)C)CC)(C)C>C1COCC1.O>[C:9](=[O:10])([O:7][CH2:6][CH2:5][CH2:4][O:3][N+:1]([O-:8])=[O:2])[O:30][C:15]1[C:16]2[CH2:22][O:21][CH:20]([C:23]3[CH:24]=[CH:25][C:26]([Cl:29])=[CH:27][CH:28]=3)[C:17]=2[CH:18]=[N:19][C:14]=1[CH3:13]
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

7

反応物 4

HCID 6371PhosgeneHCID 54910CicletanineHCID 81531DiisopropylethylamineHCID 100118933-Nitrooxypropanol

生成物 1

HCID 446334863-(4-Chlorophenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl 3-(nitrooxy)propyl carbonate

試薬・触媒・溶媒 2

HCID 962Water溶媒
HCID 8028
Tetrahydrofuran
溶媒

反応条件

温度
0 °C

実験手順

To a solution of 3-hydroxypropyl nitrate (100 mg, 0.83 mmol) in THF (10 mL) at 0° C. was added phosgene (20% in toluene, 425 mg, 0.86 mmol). After stirring at 0° C. for 45 min, the mixture was allowed to warm to rt. After stirring at rt for 2 hr, the mixture was concentrated. The residue was dissolved in 10 mL CH2Cl2, which was added to a suspension of cicletanine (150 mg, 0.57 mmol) and diisopropylethylamine (185 mg, 1.43 mmol). After stirring at rt over night, the mixture was diluted with H2O and extracted with CH2Cl2. The organic layer was washed with brine, dried over MgSO4 and concentrated. The residue was purified by flash chromatography (Biotage SP1; column 25M; TLC method: n-hexane/ethyl acetate 7/3; Rf=0.35), affording the title product. 1H NMR (500 MHz, CDCl3) δ 8.37 (s, 1H), 7.40-7.28 (m, 4H), 6.29 (s, 1H), 5.42-5.25 (m, 2H), 4.66 (m, 2H), 4.49 (m, 2H), 2.71 (s, 3H), 2.28-2.23 (m, 2H).

後処理

  1. temperatureto warm to rt
  2. stirringAfter stirring at rt for 2 hr
  3. concentrationthe mixture was concentrated
  4. dissolutionThe residue was dissolved in 10 mL CH2Cl2
  5. stirringAfter stirring at rt over night
  6. extractionextracted with CH2Cl2
  7. washThe organic layer was washed with brine
  8. dry with materialdried over MgSO4
  9. concentrationconcentrated
  10. customThe residue was purified by flash chromatography (Biotage SP1; column 25M; TLC method: n-hexane/ethyl acetate 7/3; Rf=0.35)

出典と根拠

ORDレコード
ord-c5138b4fbeb64c4d963758cce37b1cfa
出典データセット
uspto-grants-2012_02
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08119806B2

反応ノート

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