2-{[(4-Bromophenyl)methyl]sulfanyl}-1-(4-methylbenzene-1-sulfonyl)-1H-pyrrole

Base Information

Chemical Name:2-{[(4-Bromophenyl)methyl]sulfanyl}-1-(4-methylbenzene-1-sulfonyl)-1H-pyrrole
CAS No.:89597-67-1
Molecular Formula:C18H16BrNO2S2
Molecular Weight:422.367
Hs Code.:
DSSTox Substance ID:DTXSID90524280
Wikidata:Q82391025

Synonyms:89597-67-1;DTXSID90524280;2-{[(4-Bromophenyl)methyl]sulfanyl}-1-(4-methylbenzene-1-sulfonyl)-1H-pyrrole

Suppliers and Price of 2-{[(4-Bromophenyl)methyl]sulfanyl}-1-(4-methylbenzene-1-sulfonyl)-1H-pyrrole

Supply Marketing:

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

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Chemical Property of 2-{[(4-Bromophenyl)methyl]sulfanyl}-1-(4-methylbenzene-1-sulfonyl)-1H-pyrrole

Chemical Property:

XLogP3:5.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:420.98058
Heavy Atom Count:24
Complexity:492

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2SCC3=CC=C(C=C3)Br

Technology Process of 2-{[(4-Bromophenyl)methyl]sulfanyl}-1-(4-methylbenzene-1-sulfonyl)-1H-pyrrole

There total 2 articles about 2-{[(4-Bromophenyl)methyl]sulfanyl}-1-(4-methylbenzene-1-sulfonyl)-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: 98.0%

: 89597-62-6
N-tosyl-2-(thiocyanato)pyrrole

: 589-15-1
1-bromomethyl-4-bromobenzene

: 89597-67-1
N-tosyl-2-<(p-bromobenzyl)thio>pyrrole

Guidance literature:: With sodium hydroxide; In tert-butyl alcohol; for 2.5h; Ambient temperature;
DOI:10.1021/jo00185a042

Reference yield:

: 17639-64-4
N-p-toluenesulfonylpyrrole

: 89597-67-1
N-tosyl-2-<(p-bromobenzyl)thio>pyrrole

Guidance literature:: Multi-step reaction with 2 steps

1: 69 percent / ClSCN / acetic acid / 0.5 h / Ambient temperature

2: 98 percent / 1N NaOH / 2-methyl-propan-2-ol / 2.5 h / Ambient temperature

With sodium hydroxide; thiocyanatochloride; In acetic acid; tert-butyl alcohol;
DOI:10.1021/jo00185a042