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Hydrochloric Acid → (2R,3S)-N-(3-amino-2-hydroxy-4-phenylbutyl)-N-isobutyl-4-nitrobenzenesulfonamide hydrochloride

HRID 651739
ノート
印刷プレビュー

反応式

HRID 651739 の反応式
C([C@H](NC(=O)OC(C)(C)C)[C@H](O)CNCC(C)C)C1C=CC=CC=1.C(N(CC)CC)C.[N+](C1C=CC(S([Cl:44])(=O)=O)=CC=1)([O-])=O.[CH2:45]([C@H:52]([NH:73]C(=O)OC(C)(C)C)[C@H:53]([OH:72])[CH2:54][N:55]([CH2:68][CH:69]([CH3:71])[CH3:70])[S:56]([C:59]1[CH:64]=[CH:63][C:62]([N+:65]([O-:67])=[O:66])=[CH:61][CH:60]=1)(=[O:58])=[O:57])[C:46]1[CH:51]=[CH:50][CH:49]=[CH:48][CH:47]=1.Cl>C1(C)C=CC=CC=1>[ClH:44].[NH2:73][C@@H:52]([CH2:45][C:46]1[CH:47]=[CH:48][CH:49]=[CH:50][CH:51]=1)[C@H:53]([OH:72])[CH2:54][N:55]([CH2:68][CH:69]([CH3:70])[CH3:71])[S:56]([C:59]1[CH:60]=[CH:61][C:62]([N+:65]([O-:67])=[O:66])=[CH:63][CH:64]=1)(=[O:57])=[O:58]
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 5

HCID 313Hydrochloric Acid2 回HCID 74044-Nitrobenzenesulfonyl chlorideHCID 8471TriethylamineHCID 9902339tert-Butyl ((2S,3R)-3-hydroxy-4-((2-methylpropyl)amino)-1-phenylbutan-2-yl)carbamateHCID 10279676tert-Butyl ((1S,2R)-1-benzyl-2-hydroxy-3-(isobutyl((4-nitrophenyl)sulfonyl)amino)propyl)carbamate

生成物 1

HCID 10276178
(2R,3S)-N-(3-amino-2-hydroxy-4-phenylbutyl)-N-isobutyl-4-nitrobenzenesulfonamide hydrochloride
収率 73%

試薬・触媒・溶媒 1

HCID 1140Toluene溶媒2 回

反応条件

温度
90 °C

実験手順

(1S,2R)-tert-butyl N-[1-benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamate (127.77 g, 379.7 mmol) was heated in toluene (888 ml) to 80° C. and triethylamine (42.6 g, 417.8 mmol) added. The mixture was heated to 90° C. and a solution of p-nitrobenzene sulphonyl chloride (94.3 g, 425.4 mmol) in toluene (250 ml) was added over 30 minutes then stirred for a further 2 hours. The resultant solution of the nosylated intermediate {(1S,2R)-tert-butyl N-[1-benzyl-2-hydroxy-3-(N-isobutyl- 4-nitrobenzenesulphonamido)propyl]carbamate } was then cooled to 80° C. The solution was maintained at approximately 80° C., and concentrated hydrochloric acid (31.4 ml, 376.8 mmol) was added over 20 minutes. The mixture was heated to reflux (approx 86° C.) and maintained at this temperature for an hour then a further quantity of concentrated hydrochloric acid (26.4 ml, 316.8 mmol) was added. Solvent (water and toluene mixture) was removed from the reaction mixture by azeotropic distillation (total volume of solvent removed approx 600 ml), and the resultant suspension was cooled to 70-75° C. Denatured ethanol (600 ml) was added, and the solution was cooled to 20° C. The mixture was further cooled to approximately −10° C. and the precipitate formed was isolated by filtration, washed with denatured ethanol (50 ml) and dried at approximately 50° C., under vacuum, for approximately 12 hours, to give (2R,3S)-N-(3-amino-2-hydroxy-4-phenylbutyl)-N-isobutyl-4-nitrobenzene sulphonamide hydrochloride (160 g; 73% of theory yield corrected for assay). NMR: 1H NMR (300Mhz, dmso-d6): 8.37(2H, d, J=9 Hz), 8.16(NH3+s), 8.06(2H, d, J=9 Hz), 7.31(5H, m), 5.65(1H, d, J=5 Hz), 3.95(1H, m), 3.39(2H, m), 2.95(5H, m), 1.90(1H, m), 0.77(6H, dd, J=21 Hz and 6 Hz).

後処理

  1. temperatureThe solution was maintained at approximately 80° C.
  2. temperatureThe mixture was heated
  3. temperatureto reflux (approx 86° C.)
  4. temperaturemaintained at this temperature for an hour
  5. customSolvent (water and toluene mixture) was removed from the reaction mixture by azeotropic distillation (total volume of solvent removed approx 600 ml)
  6. temperaturethe resultant suspension was cooled to 70-75° C
  7. additionDenatured ethanol (600 ml) was added
  8. temperaturethe solution was cooled to 20° C
  9. temperatureThe mixture was further cooled to approximately −10° C.
  10. customthe precipitate formed
  11. customwas isolated by filtration
  12. washwashed with denatured ethanol (50 ml)
  13. customdried at approximately 50° C., under vacuum, for approximately 12 hours

出典と根拠

ORDレコード
ord-d5948e0219cd4204a97575dbd917c2f3
出典データセット
uspto-grants-2001_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06281367B1

反応ノート

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