1H-Imidazole-4-carboxylic acid, 1,2-dihydro-3-(phenylmethyl)-2-thioxo-, ethyl ester

Base Information

Chemical Name:1H-Imidazole-4-carboxylic acid, 1,2-dihydro-3-(phenylmethyl)-2-thioxo-, ethyl ester
CAS No.:91025-37-5
Molecular Formula:C13H14N2O2S
Molecular Weight:262.332
Hs Code.:

Synonyms:ethyl 1-benzyl-2,3-dihydro-2-thioxo-5-imidazole-carboxylate;

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Chemical Property of 1H-Imidazole-4-carboxylic acid, 1,2-dihydro-3-(phenylmethyl)-2-thioxo-, ethyl ester

Chemical Property:

Melting Point:122 °C(Solv: ligroine (8032-32-4); ethyl acetate (141-78-6))
Boiling Point:385.2±52.0 °C(Predicted)
PSA：79.11000
Density:1.29±0.1 g/cm3(Predicted)
LogP:2.77070

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

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Technology Process of 1H-Imidazole-4-carboxylic acid, 1,2-dihydro-3-(phenylmethyl)-2-thioxo-, ethyl ester

There total 9 articles about 1H-Imidazole-4-carboxylic acid, 1,2-dihydro-3-(phenylmethyl)-2-thioxo-, ethyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 76.0%

: ethyl 1-benzyl-2-ethylthio-5-imidazole carboxylate

: 91025-37-5
ethyl 3-benzyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-4-carboxylate

Guidance literature:: With sodium thioethylate; In N,N-dimethyl-formamide; Reflux;
DOI:10.3390/molecules19011023

Reference yield:

: 501428-67-7
2-(benzyl-formyl-amino)-3-oxo-propionic acid ethyl ester

: 333-20-0
potassium thioacyanate

: 91025-37-5
ethyl 3-benzyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-4-carboxylate

Guidance literature:: With hydrogenchloride; In ethanol; water; toluene; for 3h; Reflux;
DOI:10.1016/j.tetlet.2014.03.039

Reference yield:

: 1399859-85-8
N-benzyl-N'-(2'-acetamido)thiourea

: 91025-37-5
ethyl 3-benzyl-2-sulfanylidene-2,3-dihydro-1H-imidazole-4-carboxylate

Guidance literature:: Multi-step reaction with 6 steps

1: hydrogenchloride / acetone / 40 °C

2: potassium carbonate / acetonitrile / 14 h / 40 °C

3: tetrahydrofuran / 0.17 h / 20 °C

4: boron trifluoride diethyl etherate / benzene / 2 h / 20 °C / Inert atmosphere

5: sulfuric acid / 24 h / 0 °C / Reflux

6: sodium thioethylate / N,N-dimethyl-formamide / Reflux

With hydrogenchloride; sulfuric acid; boron trifluoride diethyl etherate; potassium carbonate; sodium thioethylate; In tetrahydrofuran; N,N-dimethyl-formamide; acetone; acetonitrile; benzene;
DOI:10.3390/molecules19011023