N-(2-methylphenyl)pyridine-2-carbothioamide

Base Information

• Chemical Name: N-(2-methylphenyl)pyridine-2-carbothioamide
• CAS No.: 21259-33-6
• Molecular Formula: C13H12N2S
• Molecular Weight: 228.318
• DSSTox Substance ID: DTXSID20355266
• Nikkaji Number: J2.798.244A
• Wikidata: Q82134049

Synonyms:N-(2-methylphenyl)pyridine-2-carbothioamide;21259-33-6;N-o-tolyl-thiopicolin-amid;2-Pyridinecarbothioamide, N-(2-methylphenyl)-;Oprea1_630135;DTXSID20355266;AKOS000361131;SR-01000204876;SR-01000204876-1

Chemical Property of N-(2-methylphenyl)pyridine-2-carbothioamide

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 228.07211956
• Heavy Atom Count: 16
• Complexity: 242

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1NC(=S)C2=CC=CC=N2

Technology Process of N-(2-methylphenyl)pyridine-2-carbothioamide

There total 3 articles about N-(2-methylphenyl)pyridine-2-carbothioamide 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: 75.0%

α-picoline (109-06-8) + o-toluidine (95-53-4) → N-(2-methylphenyl)pyridine-2-thiocarboxamide (21259-33-6)

Guidance literature:

With sodiumsulfide nonahydrate; sulfur; for 48h; Reflux;

DOI:10.1039/c5ra06112a

Reference yield: 73.0%

α-picoline (109-06-8) + 1-methyl-2-nitrobenzene (88-72-2) → N-(2-methylphenyl)pyridine-2-thiocarboxamide (21259-33-6)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; sulfur; at 120 ℃; for 16h; Inert atmosphere;

DOI:10.1246/BCSJ.20200004

Reference yield:

→ N-(2-methylphenyl)pyridine-2-thiocarboxamide (21259-33-6)

Guidance literature:

2-Picoline, o-Toluidin, S bei 180grad;

upstream raw materials:

α-picoline

1-methyl-2-nitrobenzene

o-toluidine

Downstream raw materials:

Os(C₅H₄NC(S)NC₆H₄CH₃)2(OH)H₂O

[Pd(Cl)(κ2-S,N-C6H4CS=N-(2-MePh)(PPh3)]

Ru(C₅H₄NC(S)NC₆H₄CH₃)2(OH)H₂O

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