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

Base Information

Chemical Name:2-{3-[(4-Methylphenyl)sulfanyl]propyl}-1H-isoindole-1,3(2H)-dione
CAS No.:87943-21-3
Molecular Formula:C18H17NO2S
Molecular Weight:311.404
Hs Code.:
DSSTox Substance ID:DTXSID10571837
Nikkaji Number:J1.244.924K
Wikidata:Q82460017

Synonyms:87943-21-3;DTXSID10571837;2-{3-[(4-Methylphenyl)sulfanyl]propyl}-1H-isoindole-1,3(2H)-dione;AKOS008170077

Suppliers and Price of 2-{3-[(4-Methylphenyl)sulfanyl]propyl}-1H-isoindole-1,3(2H)-dione

Supply Marketing:

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

Manufacturers and distributors:

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

Chemical Property:

XLogP3:4.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:311.09799996
Heavy Atom Count:22
Complexity:393

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)SCCCN2C(=O)C3=CC=CC=C3C2=O

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

There total 4 articles about 2-{3-[(4-Methylphenyl)sulfanyl]propyl}-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: 57.0%

: 5460-29-7
2-(3-bromopropyl)isoindole-1,3-dione

: 19158-51-1
P-toluenesulfonyl cyanide

: 87943-21-3
2-[3-(p-tolylthio)propyl]isoindoline-1,3-dione

Guidance literature:: With bis(acetylacetonate)nickel(II); manganese; 2.9-dimethyl-1,10-phenanthroline; In N,N-dimethyl-formamide; at 40 ℃; for 24h;
DOI:10.1021/acs.joc.1c00903

Reference yield:

: 5460-29-7
2-(3-bromopropyl)isoindole-1,3-dione

: 106-45-6
para-thiocresol

: 87943-21-3
2-[3-(p-tolylthio)propyl]isoindoline-1,3-dione

Guidance literature:: With sodium methylate; In methanol; Yield given;

Reference yield:

: 5285-74-5
4-tolyl thiocyanate

: 87943-21-3
2-[3-(p-tolylthio)propyl]isoindoline-1,3-dione

Guidance literature:: Multi-step reaction with 2 steps

1: periodic acid; chromium(VI) oxide / acetonitrile / 2 h / 20 °C

2: bis(acetylacetonate)nickel(II); 2.9-dimethyl-1,10-phenanthroline; manganese / N,N-dimethyl-formamide / 24 h / 40 °C

With chromium(VI) oxide; bis(acetylacetonate)nickel(II); manganese; 2.9-dimethyl-1,10-phenanthroline; periodic acid; In N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/acs.joc.1c00903