2-Pyridinecarbothioamide, N-(3-methylphenyl)-

Base Information

• Chemical Name: 2-Pyridinecarbothioamide, N-(3-methylphenyl)-
• CAS No.: 33262-64-5
• Molecular Formula: C13H12N2S
• Molecular Weight: 228.318
• DSSTox Substance ID: DTXSID30355353
• Nikkaji Number: J3.300.508C
• Wikidata: Q82134192
• Mol file: 33262-64-5.mol

Synonyms:33262-64-5;2-Pyridinecarbothioamide, N-(3-methylphenyl)-;Oprea1_822203;F1256-0004;DTXSID30355353;N-(m-tolyl)pyridine-2-carbothioamide;AKOS024603892;SR-01000240563;SR-01000240563-1

Chemical Property of 2-Pyridinecarbothioamide, N-(3-methylphenyl)-

Chemical Property:

• PSA: 64.05000
• LogP: 3.39810
• 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=C1)NC(=S)C2=CC=CC=N2

Technology Process of 2-Pyridinecarbothioamide, N-(3-methylphenyl)-

There total 2 articles about 2-Pyridinecarbothioamide, N-(3-methylphenyl)- 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:

α-picoline (109-06-8) + 1-amino-3-methylbenzene (108-44-1) → pyridine-2-carbothioic acid 3-methyl-anilide (33262-64-5)

Guidance literature:

With sulfur;

DOI:10.1021/ja01540a020

Reference yield:

→ pyridine-2-carbothioic acid 3-methyl-anilide (33262-64-5)

Guidance literature:

2-Picolin, m-Toluidin, S;

Reference yield: 75.0%

bis-triphenylphosphine-palladium(II) chloride (13965-03-2) + pyridine-2-carbothioic acid 3-methyl-anilide (33262-64-5) → Pd(Cl)(κ2-S,N-C6H4CS=N-(3-MePh)(PPh3)) (1612222-02-2)

Guidance literature:

In ethanol; at 80 ℃; for 3h;

DOI:10.1016/j.ica.2014.03.002

upstream raw materials:

α-picoline

1-amino-3-methylbenzene

Downstream raw materials:

Pd(Cl)(κ²-S,N-C₆H₄CS=N-(3-MePh)(PPh₃))