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tert-Butanol → HCID 10494362, Verbindung

HRID 849302
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 849302
[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([C:10]2[CH:15]=[CH:14][CH:13]=[C:12]([C:16]([OH:18])=[O:17])[CH:11]=2)=[CH:6][CH:5]=1)([O-:3])=[O:2].C(Cl)(=O)C(Cl)=O.[C:25](O)([CH3:28])([CH3:27])[CH3:26].[Li]CCCC>C(Cl)Cl.CN(C=O)C.C1COCC1>[N+:1]([C:4]1[CH:5]=[CH:6][C:7]([C:10]2[CH:15]=[CH:14][CH:13]=[C:12]([C:16]([O:18][C:25]([CH3:28])([CH3:27])[CH3:26])=[O:17])[CH:11]=2)=[CH:8][CH:9]=1)([O-:3])=[O:2]
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

8

Edukt 4

HCID 6386tert-ButanolHCID 65578Oxalyl chlorideHCID 30139383-Biphenylcarboxylic acid, 4'-nitro-HCID 178418339Butyllithium

Produkt 1

HCID 10494362HCID 10494362, VerbindungAusbeute 57 %

Reagenzien, Katalysatoren, Lösungsmittel 3

HCID 6228
Dimethylformamide
Katalysator
HCID 6344DichloromethaneLösungsmittel
HCID 8028TetrahydrofuranLösungsmittel

Versuchsvorschrift

To a solution of 15 (1.215 g, 5 mmol) in 30 mL of methylene chloride was added oxalyl chloride (0.65 mL, 7.45 mmol) and one drop of DMF. The mixture was stirred until no further bubbling was observed. The clear solution was exaporated to dryness to give the crude acid chloride. To another flask containing 7.0 mL of tert-butanol was added n-BuLi (1.8 M in hexane, 2.8 mL, 5.04 mmol) under a water bath. The turbid solution was stirred for 5 min at room temperature and then the above acid chloride in 20 mL of THF was added through a dropping funnel. The mixture was stirred overnight before the solvents were evaporated. The residue was dissolved into methylene chloride and washed with 0.5 N NaOH. The organic layer was dried over MgSO4 and evaporated. The residue was recrystallized from methanol to give pale yellow crystals (851 mg, 57%). m.p. 110.5-111.0° C. 1H NMR (CDCl3) δ 8.32 (d, 7.8 Hz, 2H), 8.24 (s, 1H), 8.06 (d, 7.7 Hz, 1H), 7.77 (m, 3H), 7.56 (t, 7.7 Hz, 1H), 1.63 (s, 9H). 13C NMR (CDCl3) δ 165.1, 147.1, 146.5, 138.7, 132.8, 131.0, 129.6, 129.0, 128.2, 127.8, 124.0, 81.4, 28.0, LRMS (EI) for C17H17O4N 299 (M+, 20), 243 (70), 266 (30), 152 (25; HRMS (EI) calcd 299.1157, obsd 299.1192. Anal. (C17H17NO4) C, H, N.

Aufarbeitung

  1. customno further bubbling
  2. customto give the crude acid chloride
  3. stirringThe turbid solution was stirred for 5 min at room temperature
  4. stirringThe mixture was stirred overnight before the solvents
  5. customwere evaporated
  6. dissolutionThe residue was dissolved into methylene chloride
  7. washwashed with 0.5 N NaOH
  8. dry with materialThe organic layer was dried over MgSO4
  9. customevaporated
  10. customThe residue was recrystallized from methanol

Quellen und Nachweise

ORD-Eintrag
ord-1ad270b257bd4ec9ba581e03c1c6ad73
Quelldatensatz
uspto-grants-2000_01
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US06011175

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