5-Methyl-2-[(4-nitrophenyl)sulfanyl]pyridine-3-carbonitrile

Base Information

Chemical Name:5-Methyl-2-[(4-nitrophenyl)sulfanyl]pyridine-3-carbonitrile
CAS No.:87373-60-2
Molecular Formula:C13H9N3O2S
Molecular Weight:271.299
Hs Code.:
DSSTox Substance ID:DTXSID20552394
Wikidata:Q82432613

Synonyms:87373-60-2;SCHEMBL9536128;DTXSID20552394;ZAQBUELCSTWMFY-UHFFFAOYSA-N;5-Methyl-2-[(4-nitrophenyl)sulfanyl]pyridine-3-carbonitrile;3-cyano-2-(4-nitrophenylthio)-5-methylpyridine

Suppliers and Price of 5-Methyl-2-[(4-nitrophenyl)sulfanyl]pyridine-3-carbonitrile

Supply Marketing:

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

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Chemical Property of 5-Methyl-2-[(4-nitrophenyl)sulfanyl]pyridine-3-carbonitrile

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:271.04154771
Heavy Atom Count:19
Complexity:368

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(N=C1)SC2=CC=C(C=C2)[N+](=O)[O-])C#N

Technology Process of 5-Methyl-2-[(4-nitrophenyl)sulfanyl]pyridine-3-carbonitrile

There total 1 articles about 5-Methyl-2-[(4-nitrophenyl)sulfanyl]pyridine-3-carbonitrile 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: 97.0%

: 87373-59-9
3-Cyano-5-methyl-2(1H)-pyridinethione

: 350-46-9,178603-76-4
4-Fluoronitrobenzene

: 87373-60-2
2-(4-nitrophenylthio)-3-cyano-5-methylpyridine

Guidance literature:: DOI:10.1002/jhet.5570270101

Reference yield:

: 87373-60-2
2-(4-nitrophenylthio)-3-cyano-5-methylpyridine

: 88553-19-9
2-(4-nitrophenylthio)-3-cyano-5-bromomethylpyridine

Guidance literature:: With N-Bromosuccinimide; Perbenzoic acid; In benzene; for 16h; Heating; Irradiation;
DOI:10.1021/jo00173a014

Reference yield:

: 87373-60-2
2-(4-nitrophenylthio)-3-cyano-5-methylpyridine

: 95674-60-5
2-amino-3-cyano-5-<2-<4-(ethoxycarbonyl)phenyl>ethyl>pyridine

Guidance literature:: Multi-step reaction with 5 steps

1: NBS, benzoyl peroxide / benzene / 16 h / Heating; Irradiation

2: benzene / Ambient temperature

3: 88 percent / triethylamine / CHCl₃ / 96 h / Ambient temperature

4: 64 percent / cupric bromide, liquid NH₃ / 312 h / Ambient temperature

5: 86 percent / H₂ / 5percent Pd/C / ethyl acetate / 1 h / 2585.7 - 2844.3 Torr / Ambient temperature

With N-Bromosuccinimide; Perbenzoic acid; ammonia; hydrogen; triethylamine; copper(ll) bromide; palladium on activated charcoal; In chloroform; ethyl acetate; benzene;
DOI:10.1021/jm00145a012