1-[2-(Phenylthio)ethyl]-2-(3,4-dimethoxyphenyl)-4,5-dioxo-2-pyrroline-3-carboxylic acid methyl ester

Base Information

Chemical Name:1-[2-(Phenylthio)ethyl]-2-(3,4-dimethoxyphenyl)-4,5-dioxo-2-pyrroline-3-carboxylic acid methyl ester
CAS No.:212050-50-5
Molecular Formula:C₂₂H₂₁NO₆S
Molecular Weight:427.478
Hs Code.:
DSSTox Substance ID:DTXSID701113271
Nikkaji Number:J973.253E

Synonyms:DTXSID701113271;1-[2-(Phenylthio)ethyl]-2-(3,4-dimethoxyphenyl)-4,5-dioxo-2-pyrroline-3-carboxylic acid methyl ester;212050-50-5;Methyl 2-(3,4-dimethoxyphenyl)-4,5-dihydro-4,5-dioxo-1-[2-(phenylthio)ethyl]-1H-pyrrole-3-carboxylate

Suppliers and Price of 1-[2-(Phenylthio)ethyl]-2-(3,4-dimethoxyphenyl)-4,5-dioxo-2-pyrroline-3-carboxylic acid methyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1-[2-(Phenylthio)ethyl]-2-(3,4-dimethoxyphenyl)-4,5-dioxo-2-pyrroline-3-carboxylic acid methyl ester

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:427.10895856
Heavy Atom Count:30
Complexity:687

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)C2=C(C(=O)C(=O)N2CCSC3=CC=CC=C3)C(=O)OC)OC

Technology Process of 1-[2-(Phenylthio)ethyl]-2-(3,4-dimethoxyphenyl)-4,5-dioxo-2-pyrroline-3-carboxylic acid methyl ester

There total 5 articles about 1-[2-(Phenylthio)ethyl]-2-(3,4-dimethoxyphenyl)-4,5-dioxo-2-pyrroline-3-carboxylic acid methyl 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: 90.0%

: 79-37-8
oxalyl dichloride

: 212050-49-2
(Z)-3-(3,4-Dimethoxy-phenyl)-3-(2-phenylsulfanyl-ethylamino)-acrylic acid methyl ester

: 212050-50-5
2-(3,4-Dimethoxy-phenyl)-4,5-dioxo-1-(2-phenylsulfanyl-ethyl)-4,5-dihydro-1H-pyrrole-3-carboxylic acid methyl ester

Guidance literature:: In 1,4-dioxane; diethyl ether;
DOI:10.1248/cpb.46.906

Reference yield:

: 2014-75-7
2-(phenylthio)ethanamine

: 212050-50-5
2-(3,4-Dimethoxy-phenyl)-4,5-dioxo-1-(2-phenylsulfanyl-ethyl)-4,5-dihydro-1H-pyrrole-3-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / AcOH / methanol / 27 h / Heating

2: 90 percent / diethyl ether; dioxane

With acetic acid; In 1,4-dioxane; methanol; diethyl ether;
DOI:10.1248/cpb.46.906

Reference yield:

: 3111-52-2
potassium thiophenolate

: 212050-50-5
2-(3,4-Dimethoxy-phenyl)-4,5-dioxo-1-(2-phenylsulfanyl-ethyl)-4,5-dihydro-1H-pyrrole-3-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: ethanol / 1.5 h / Heating

2: 90 percent / AcOH / methanol / 27 h / Heating

3: 90 percent / diethyl ether; dioxane

With acetic acid; In 1,4-dioxane; methanol; diethyl ether; ethanol;
DOI:10.1248/cpb.46.906