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Methyl chloroformate → HCID 59441788, Verbindung

HRID 1014169
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1014169
[CH3:1][C:2]([N:5]([C:9]1[CH:14]=[C:13]([F:15])[CH:12]=[C:11]([Cl:16])[CH:10]=1)[C:6](=[O:8])[O-:7])([CH3:4])[CH3:3].[Li][C:18]([CH3:21])([CH3:20])[CH3:19].CCCCC.[CH3:27][O:28][C:29](Cl)=[O:30].[Cl-].[NH4+]>O1CCCC1>[Cl:16][C:11]1[CH:12]=[C:13]([F:15])[C:14]([C:29]([O:28][CH3:27])=[O:30])=[C:9]([NH:5][C:6]([O:7][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:8])[CH:10]=1.[CH3:4][C:2]([N:5]([C:9]1[CH:10]=[C:11]([Cl:16])[CH:12]=[C:13]([F:15])[C:14]=1[C:29](=[O:30])[C:18]([CH3:21])([CH3:20])[CH3:19])[C:6](=[O:7])[O-:8])([CH3:1])[CH3:3]
KomponentenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

8

Edukt 5

HCID 6586Methyl chloroformateHCID 8003PentaneHCID 25517Ammonium ChlorideHCID 86644178HCID 86644178, VerbindungHCID 178418306HCID 178418306, Verbindung

Produkt 2

HCID 59441788HCID 59441788, Verbindung
HCID 86644177
HCID 86644177, Verbindung

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 8028TetrahydrofuranLösungsmittel

Versuchsvorschrift

To a solution of 1,1-dimethylethyl(3-chloro-5-fluorophenyl)carbamate (7.34 g, 30 mmol) in tetrahydrofuran (200 mL, Aldrich) at −78° C. was slowly added tBuLi as a 1.7M solution in pentane (46 mL, 78 mmol, 2.6 equiv.). The resulting bright yellow solution was maintained at −78° C. for 3 hours, at which time methylchloroformate (3.02 mL, 39 mmol, Fluka) was added dropwise. After 45 minutes aqueous ammonium chloride (100 mL) was added and the reaction was warmed to room temperature. The organic layer was washed with brine, taken to a residue under reduced pressure, and purified by chromatography on SiO2 (10 to 30% ethyl acetate/hexanes) to afford methyl 4-chloro-2-({[(1,1-dimethylethyl)oxy]carbonyl}amino)-6-fluorobenzoate as a pale yellow oil (6.4, 70% yield) as a roughly 5:1 mixture with 1,1-dimethylethyl[5-chloro-2-(2,2-dimethylpropanoyl)-3-fluorophenyl]carbamate which was removed in the subsequent step. 1H NMR (400 MHz, CDCl3) δ ppm 1.52 (s, 9 H), 3.95 (s, 3 H), 6.76 (d, J=2.20 Hz, 1 H), 6.78 (d, J=4 Hz, 1H) 8.31-8.34 (m, 1 H).

Aufarbeitung

  1. customat −78° C.
  2. additionwas added dropwise
  3. washThe organic layer was washed with brine
  4. custompurified by chromatography on SiO2 (10 to 30% ethyl acetate/hexanes)

Quellen und Nachweise

ORD-Eintrag
ord-46e0121a60a74531999bf98e4a927520
Quelldatensatz
uspto-grants-2011_07
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07981903B2

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