1-(2-(Ethylsulfinyl)phenyl)-1H-pyrrole

Base Information

• Chemical Name: 1-(2-(Ethylsulfinyl)phenyl)-1H-pyrrole
• CAS No.: 107344-55-8
• Molecular Formula: C12H13NOS
• Molecular Weight: 219.307
• DSSTox Substance ID: DTXSID10550420
• Nikkaji Number: J471.168H
• Mol file: 107344-55-8.mol

Synonyms:107344-55-8;1-(2-(Ethylsulfinyl)phenyl)-1H-pyrrole;DTXSID10550420;1-[2-(Ethanesulfinyl)phenyl]-1H-pyrrole

Chemical Property of 1-(2-(Ethylsulfinyl)phenyl)-1H-pyrrole

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 219.07178521
• Heavy Atom Count: 15
• Complexity: 226

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCS(=O)C1=CC=CC=C1N2C=CC=C2

Technology Process of 1-(2-(Ethylsulfinyl)phenyl)-1H-pyrrole

There total 2 articles about 1-(2-(Ethylsulfinyl)phenyl)-1H-pyrrole 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: 100.0%

1-<2-(Ethylthio)phenyl>pyrrole (107344-51-4) → 1-<2-(Ethylsulfinyl)phenyl>pyrrole (107344-55-8)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; 1) 1h, 0 deg C, 2) -20 deg C, overnight;

DOI:10.1021/jo00037a027

Reference yield:

2-(ethylthio)aniline (13920-91-7) → 1-<2-(Ethylsulfinyl)phenyl>pyrrole (107344-55-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 55 percent / glacial AcOH / 2.25 h / steam bath

2: 100 percent / m-chloroperoxybenzoic acid / CH₂Cl₂ / 1) 1h, 0 deg C, 2) -20 deg C, overnight

With acetic acid; 3-chloro-benzenecarboperoxoic acid; In dichloromethane;

DOI:10.1021/jo00037a027

Reference yield: 46.0%

1-<2-(Ethylsulfinyl)phenyl>pyrrole (107344-55-8) → 3-pyrrolo<2,1-b>bezothiazole carbaldehyde (113366-90-8) + 1-pyrrolo<2,1-b>bezothiazole carbaldehyde (113366-89-5) + 2-chloro-1-(2-ethylthiophenyl)pyrrole (113366-91-9)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide;

DOI:10.1016/S0040-4039(00)95528-X

upstream raw materials:

1-<2-(Ethylthio)phenyl>pyrrole

2-(ethylthio)aniline

Downstream raw materials:

3-pyrrolo<2,1-b>bezothiazole carbaldehyde

1-pyrrolo<2,1-b>bezothiazole carbaldehyde

2-chloro-1-(2-ethylthiophenyl)pyrrole

1-<2-(Ethylthio)phenyl>pyrrole

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