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Methyl iodide → 3-hydroxymethyl-5-methylthio-4-propyl-4H-1,2,4-triazole

HRID 856653
Notes
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Reaction equation

HRID 856653 reaction equation
[OH:1][CH2:2][C:3]1[N:7]([CH2:8][CH2:9][CH3:10])[C:6]([SH:11])=[N:5][N:4]=1.IC.[CH2:14](N(CC)CC)C>C(O)C>[OH:1][CH2:2][C:3]1[N:7]([CH2:8][CH2:9][CH3:10])[C:6]([S:11][CH3:14])=[N:5][N:4]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 3

HCID 6328Methyl iodideHCID 8471TriethylamineHCID 178456617HCID 178456617, compound

Product 1

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

Reagents, catalysts & solvents 1

HCID 702EthanolSolvent

Procedure

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.

Workup

  1. concentrationThe reaction mixture was concentrated under reduced pressure
  2. customthe obtained residue was purified by column chromatography (ethanol:ethyl acetate 1:5→1:4)

Sources & evidence

ORD record
ord-a60c8eebb492499f8f16e94a3623cef5
Source dataset
uspto-grants-2007_08
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07262185B2

Reaction notes

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