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Carbamate → 3-tert-butoxycarbonyl-6-(4-carboxybenzylthio)-7-chloro-2,3,4,5-tetrahydro-1H-benzo[d]azepine

HRID 911462
ノート
印刷プレビュー

反応式

HRID 911462 の反応式
[C:1]([O:5][C:6]([N:8]1[CH2:14][CH2:13][C:12]2[C:15]([S:20][C:21](=O)N(C)C)=[C:16]([Cl:19])[CH:17]=[CH:18][C:11]=2[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[OH-].[K+].BrC[C:30]1[CH:39]=[CH:38][C:33]([C:34]([O:36]C)=[O:35])=[CH:32][CH:31]=1.C(=O)([O-])N.C(OC(OC(OC(C)(C)C)=O)=O)(C)(C)C.C([O-])(O)=O.[Na+]>CO.[NH4+].[Cl-]>[C:1]([O:5][C:6]([N:8]1[CH2:14][CH2:13][C:12]2[C:15]([S:20][CH2:21][C:30]3[CH:39]=[CH:38][C:33]([C:34]([OH:36])=[O:35])=[CH:32][CH:31]=3)=[C:16]([Cl:19])[CH:17]=[CH:18][C:11]=2[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2]
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

9

反応物 6

HCID 276CarbamateHCID 14797Potassium HydroxideHCID 90495Di-tert-butyl dicarbonateHCID 256687Methyl 4-(bromomethyl)benzoateHCID 516892Sodium BicarbonateHCID 576559793-tert-butoxycarbonyl-7-chloro-6-dimethylaminocarbonylthio-2,3,4,5-tetrahydro-1H-benzo[d]azepine

生成物 1

HCID 57656551
3-tert-butoxycarbonyl-6-(4-carboxybenzylthio)-7-chloro-2,3,4,5-tetrahydro-1H-benzo[d]azepine

試薬・触媒・溶媒 2

HCID 887Methanol溶媒HCID 25517Ammonium Chloride溶媒

反応条件

温度
57.5 °C

実験手順

To a solution of 3-tert-butoxycarbonyl-7-chloro-6-dimethylcarbamoylthio-2,3,4,5-tetrahydro-1H-benzo[d]azepine (1.0 g, 2.6 mmol) in methanol (15 mL) under nitrogen, add with stirring potassium hydroxide (4.5 g, 80.3 mmol) at ambient temperature. Heat at 55-60° C. for 2 h, cool to ambient temperature, and add methyl 4-bromomethylbenzoate (1.2 g, 5.2 mmol). TLC after 20 min shows formation of product; however, after 4 h at ambient temperature both TLC and LC/MS indicate complete hydrolysis of the ester and the carbamate. Dilute with saturated aqueous NH4Cl, extract three times with EtOAc, dry over anhydrous MgSO4, and concentrate in vacuo. Dissolve the crude material in THF (10 mL), treat with di-tert-butyl-dicarbonate (2 equiv) and saturated aqueous NaHCO3 (10 mL), and stir overnight. Extract three times with EtOAc, dry over anhydrous MgSO4 and concentrate in vacuo to give the desired intermediate as an oil that was used without purification [2.32 g, 50% purity with (Boc)2O]. MS (ES+) m/z 348 (M+H−Boc)+.

後処理

  1. temperaturecool to ambient temperature
  2. waithowever, after 4 h at ambient temperature both TLC and LC/MS indicate complete
  3. extractionextract three times with EtOAc
  4. dry with materialdry over anhydrous MgSO4
  5. concentrationconcentrate in vacuo
  6. dissolutionDissolve the crude material in THF (10 mL)
  7. extractionExtract three times with EtOAc
  8. dry with materialdry over anhydrous MgSO4
  9. concentrationconcentrate in vacuo

出典と根拠

ORDレコード
ord-dd73da65f5c24eb5966660c00bc8de24
出典データセット
uspto-grants-2011_09
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08022062B2

反応ノート

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