2-{2-[(4-Methylphenyl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione

Base Information

• Chemical Name: 2-{2-[(4-Methylphenyl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione
• CAS No.: 87943-20-2
• Molecular Formula: C₁₇H₁₅NO₂S
• Molecular Weight: 297.378
• DSSTox Substance ID: DTXSID50571836
• Nikkaji Number: J1.244.917H
• Wikidata: Q82460016
• Mol file: 87943-20-2.mol

Synonyms:87943-20-2;2-(2-(p-tolylthio)ethyl)isoindoline-1,3-dione;1H-Isoindole-1,3(2H)-dione, 2-[2-[(4-methylphenyl)thio]ethyl]-;2-{2-[(4-Methylphenyl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione;2-{2-[(4-methylphenyl)sulfanyl]ethyl}-2,3-dihydro-1H-isoindole-1,3-dione;DTXSID50571836;AKOS002538006;Z18271677;2-[2-(4-methylphenyl)sulfanylethyl]isoindole-1,3-dione;F2199-0586

Chemical Property of 2-{2-[(4-Methylphenyl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione

Chemical Property:

• Melting Point: 81 °C
• Boiling Point: 453.5±28.0 °C(Predicted)
• PSA: 62.68000
• Density: 1.31±0.1 g/cm3(Predicted)
• LogP: 3.32120
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 297.08234989
• Heavy Atom Count: 21
• Complexity: 380

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)SCCN2C(=O)C3=CC=CC=C3C2=O

Technology Process of 2-{2-[(4-Methylphenyl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione

There total 2 articles about 2-{2-[(4-Methylphenyl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione 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:

2-(2-bromoethyl)isoindoline-1,3-dione (574-98-1) + para-thiocresol (106-45-6) → 2-phthalimidoethyl p-tolyl sulphide (87943-20-2)

Guidance literature:

With ethanol; sodium ethanolate;

Reference yield:

2-(2-bromoethyl)isoindoline-1,3-dione (574-98-1) + sodium p-thiocresolate (10486-08-5) → 2-phthalimidoethyl p-tolyl sulphide (87943-20-2)

Guidance literature:

In ethanol; for 2h; Heating;

DOI:10.1080/10426509808545492

Reference yield:

2-phthalimidoethyl p-tolyl sulphide (87943-20-2) → N-[2-(toluene-4-sulfonyl)-ethyl]-phthalimide (69384-65-2)

Guidance literature:

With water; dihydrogen peroxide; acetic acid;

upstream raw materials:

2-(2-bromoethyl)isoindoline-1,3-dione

para-thiocresol

sodium p-thiocresolate

Downstream raw materials:

2-(4-methylphenylthio)ethylamine

N-[2-(toluene-4-sulfonyl)-ethyl]-phthalimide

N-<2-(p-tolylthio)ethyl>acetamide