HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Reaction

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

HRID 856654
Notes
Print preview

Reaction equation

HRID 856654 reaction equation
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
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

4

Reactant 2

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

Product 1

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

Reagents, catalysts & solvents 1

HCID 24386Thionyl ChlorideSolvent

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. 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

Sources & evidence

ORD record
ord-3b2988be36ca491285302671c6c6480e
Source dataset
uspto-grants-2007_08
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07262185B2

Reaction notes

Loading…

On this pageParticipantsProcedureWorkupSources & evidenceReaction notes