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Chloroform → 3-chloromethyl-5-methylthio-4-propyl-4H-1,2,4-triazole hydrochloride

HRID 856654
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 856654
OC[C:3]1[N:7]([CH2:8][CH2:9][CH3:10])[C:6]([S:11][CH3:12])=[N:5][N:4]=1.[CH:13]([Cl:16])(Cl)[Cl:14]>S(Cl)(Cl)=O>[ClH:14].[Cl:16][CH2:13][C:3]1[N:7]([CH2:8][CH2:9][CH3:10])[C:6]([S:11][CH3:12])=[N:5][N:4]=1
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Komponenten

4

Edukt 2

HCID 6212ChloroformHCID 229388793-hydroxymethyl-5-methylthio-4-propyl-4H-1,2,4-triazole

Produkt 1

HCID 229388683-chloromethyl-5-methylthio-4-propyl-4H-1,2,4-triazole hydrochloride

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 24386Thionyl ChlorideLösungsmittel

Versuchsvorschrift

A solution of 3-hydroxymethyl-4-propyl-5-mercapto-4H-1,2,4-triazole (2.0 g), iodo methane (1.1 ml) and triethylamine (2.5 ml) in ethanol (20 ml) was stirred for 2 days at 50° C. The reaction mixture was concentrated under reduced pressure, and the obtained residue was purified by column chromatography (ethanol:ethyl acetate 1:5→1:4), to give 3-hydroxymethyl-5-methylthio-4-propyl-4H-1,2,4-triazole (2.13 g) as pale yellow oil. To a solution of 3-hydroxymethyl-5-methylthio-4-propyl-4H-1,2,4-triazole (2.13 g) in chloroform (6 ml), thionyl chloride (16 ml) was slowly added at 0° C. The mixture was heated to reflux for 2 hours, and concentrated under reduced pressure. To the residue were added small amount of ethanol and ethyl acetate, and the precipitated crystals were collected by filtration. The crystals were washed with ethyl acetate and diethylether, to give 3-chloromethyl-5-methylthio-4-propyl-4H-1,2,4-triazole hydrochloride (1.06 g) as colorless crystals.

Aufarbeitung

  1. temperatureThe mixture was heated
  2. temperatureto reflux for 2 hours
  3. concentrationconcentrated under reduced pressure
  4. additionTo the residue were added small amount of ethanol and ethyl acetate
  5. filtrationthe precipitated crystals were collected by filtration
  6. washThe crystals were washed with ethyl acetate and diethylether

Quellen und Nachweise

ORD-Eintrag
ord-3b2988be36ca491285302671c6c6480e
Quelldatensatz
uspto-grants-2007_08
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07262185B2

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