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

HRID 856653
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HRID 856653 반응식
[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
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참가 물질

5

반응물 3

HCID 6328Methyl iodideHCID 8471TriethylamineHCID 178456617HCID 178456617, 화합물

생성물 1

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

시약·촉매·용매 1

HCID 702Ethanol용매

실험 절차

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.

후처리

  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)

출처 및 근거

ORD 기록
ord-a60c8eebb492499f8f16e94a3623cef5
출처 데이터셋
uspto-grants-2007_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07262185B2

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