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Hydrochloric Acid → (S)-Venlafaxine

HRID 1433171
ノート
印刷プレビュー

反応式

HRID 1433171 の反応式
[OH:1][C:2]1([C@@H:8]([C:14]2[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[CH:16][CH:15]=2)[C:9]([N:11]([CH3:13])[CH3:12])=O)[CH2:7][CH2:6][CH2:5][CH2:4][CH2:3]1.B.Cl>O1CCCC1>[CH3:13][N:11]([CH3:12])[CH2:9][C@@H:8]([C:2]1([OH:1])[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1)[C:14]1[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[CH:16][CH:15]=1
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 3

HCID 313Hydrochloric AcidHCID 6331BoraneHCID 24777858(2R)-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)-N,N-dimethylacetamide

生成物 1

HCID 11846746(S)-Venlafaxine

試薬・触媒・溶媒 1

HCID 8028Tetrahydrofuran溶媒

反応条件

温度
75 °C

実験手順

A solution of (2R)-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)-N,N-dimethylacetamide (135 mg, 0.46 mmol) in dry tetrahydrofuran (1 mL) was treated with a solution of borane (1.0 M in tetrahydrofuran, 1.02 mL, 1.02 mmol). The reaction was heated at 75° C. for 1.5 h, and was cooled to 0° C. and treated dropwise with a 2N aqueous solution of hydrochloric acid. The reaction was then heated at 75° C for 20 minutes, the reaction was cooled, and the tetrahydrofuran was removed in vacuo. The resulting residue was diluted with water (3 mL) and was washed with ethyl acetate (6 mL). The aqueous layer was then basified to pH=10 with a 2N aqueous solution of sodium hydroxide, and the product was extracted with methylene chloride (3×15 mL). The combined organic extracts were dried over magnesium sulfate and concentrated in vacuo to yield (1S)-1-[2-dimethylamino-1-(4-methoxyphenyl)ethyl]cyclohexanol as a colorless oil. The oil was dissolved in methanol (0.5 mL) and was treated with a saturated methanolic solution of hydrochloric acid followed by enough diethyl ether to cause crystallization to yield 127 mg (88%) S-1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol hydrochloride as a white solid. MS (ESI) m/z 278; [α]D25=−1.0° (c=0.010 g/mL, EtOH) (Yardley, John P.; Husbands, G. E. Morris; Stack, Gary; Butch, Jacqueline; Bicksler, James; Moyer, John A.; Muth, Eric A.; Andree, Terrance; Fletcher, Horace, III, et. al. J. Med. Chem. 1990, 33(10), 2899-905( [α]D25==−4°, c=0.095 g/mL, EtOH); enantiomeric excess >99%. The enantiomeric purity was determined, compared to the racemate, under the following Supercritical Fluid Chromatography conditions using Analytical Supercritical Fluid Chromatography (Berger Instruments, Inc. Newark, Del. USA):

後処理

  1. temperaturewas cooled to 0° C.
  2. temperatureThe reaction was then heated at 75° C for 20 minutes
  3. temperaturethe reaction was cooled
  4. customthe tetrahydrofuran was removed in vacuo
  5. additionThe resulting residue was diluted with water (3 mL)
  6. washwas washed with ethyl acetate (6 mL)
  7. extractionthe product was extracted with methylene chloride (3×15 mL)
  8. dry with materialThe combined organic extracts were dried over magnesium sulfate
  9. concentrationconcentrated in vacuo

出典と根拠

ORDレコード
ord-52fc68a2cd68444d8f5f58e8fc739d6d
出典データセット
uspto-grants-2009_11
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07612210B2

反応ノート

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