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Hydrochloric Acid → 1-[2-(Isochroman-1-yl)-2-methylpropyl]-4-(4-methoxyphenyl)piperazine dihydrochloride

HRID 1417813
ノート
印刷プレビュー

反応式

HRID 1417813 の反応式
B.CSC.[CH:5]1([C:15]([CH3:33])([CH3:32])[C:16]([N:18]2[CH2:23][CH2:22][N:21]([C:24]3[CH:29]=[CH:28][C:27]([O:30][CH3:31])=[CH:26][CH:25]=3)[CH2:20][CH2:19]2)=O)[C:14]2[C:9](=[CH:10][CH:11]=[CH:12][CH:13]=2)[CH2:8][CH2:7][O:6]1.C1COCC1.[ClH:39]>CO>[ClH:39].[ClH:39].[CH:5]1([C:15]([CH3:33])([CH3:32])[CH2:16][N:18]2[CH2:19][CH2:20][N:21]([C:24]3[CH:25]=[CH:26][C:27]([O:30][CH3:31])=[CH:28][CH:29]=3)[CH2:22][CH2:23]2)[C:14]2[C:9](=[CH:10][CH:11]=[CH:12][CH:13]=2)[CH2:8][CH2:7][O:6]1
参加物実験手順後処理出典と根拠反応ノート

参加物

6

反応物 4

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 12423031(Dimethyl sulfide)trihydroboronHCID 232887702-(Isochroman-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one

生成物 1

HCID 232889331-[2-(Isochroman-1-yl)-2-methylpropyl]-4-(4-methoxyphenyl)piperazine dihydrochloride

試薬・触媒・溶媒 1

HCID 887
Methanol
溶媒

実験手順

Triethylamine (1 ml) is added dropwise to a mixture of 2-(isochroman-1-yl)-2-methylpropionic acid (LXXII, 0.502 g, 2.3 mmol), 1-(4-methoxyphenyl)piperazine dihydrochloride (XI, 0.668 g, 2.5 mmol), diethylcyanophosphonate (0.44 ml, 2.9 mmol), DMF (2.4 ml) and dichloromethane (2.4 ml). After the mixture had stirred for 2.5 hr, aqueous saturated sodium bicarbonate is added and the mixture is stirred for 70 min. The mixture is then partitioned between dichloromethane and saline, the phases separated and the organic phase is dried over magnesium sulfate and concentrated. The residue is chromatographed on silica gel eluting with methanol/dichloromethane (1/99). The appropriate fractions are pooled and concentrated to give a residue. Ethyl acetate and hexane are added and the solids are collected and dried to give 2-(isochroman-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one (LXXIII), mp 119.5°-121°. Borane-methyl sulfide (1.1 ml) is added to a mixture of 2-(isochroman-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one (LXXIII, 0.397 g, 1.0 mmol) and THF (98 ml). The mixture is heated for 3.5 hr at 76° and then cooled in an ice/water bath. Hydrochloric acid (10%, 1.3 ml) is added, followed by methanol. The mixture is concentrated and methanol is again added and removed under reduced pressure. The methanol addition/removal is repeated twice more and the resulting material is partitioned between dichloromethane and saturated sodium bicarbonate. The combined organic phases are dried over magnesium sulfate, concentrated, and the residue chromatographed on silica gel eluting with ethyl acetate/hexane (5/95) followed by ethyl acetate/hexane (10/90). The appropriate fractions are pooled and concentrated to give the free base of the title compound.

後処理

  1. temperatureThe mixture is heated for 3.5 hr at 76°
  2. temperaturecooled in an ice/water bath
  3. concentrationThe mixture is concentrated
  4. additionmethanol is again added
  5. customremoved under reduced pressure
  6. customThe methanol addition/removal
  7. customthe resulting material is partitioned between dichloromethane and saturated sodium bicarbonate
  8. dry with materialThe combined organic phases are dried over magnesium sulfate
  9. concentrationconcentrated
  10. customthe residue chromatographed on silica gel eluting with ethyl acetate/hexane (5/95)
  11. concentrationconcentrated

出典と根拠

ORDレコード
ord-5aa22c78721d4a3b8f0a5de3a25209c1
出典データセット
uspto-grants-1999_03
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US05877317

反応ノート

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