3-(methylsulfonyl)-1,2,4-Triazine

Base Information

• Chemical Name: 3-(methylsulfonyl)-1,2,4-Triazine
• CAS No.: 105783-77-5
• Molecular Formula: C4H5N3O2S
• Molecular Weight: 159.169
• European Community (EC) Number: 892-166-3
• DSSTox Substance ID: DTXSID30543399
• Nikkaji Number: J316.591D
• Wikidata: Q82420257
• Mol file: 105783-77-5.mol

Synonyms:3-(methylsulfonyl)-1,2,4-Triazine;105783-77-5;3-methylsulfonyl-1,2,4-triazine;3-(Methanesulfonyl)-1,2,4-triazine;1,2,4-Triazine, 3-(methylsulfonyl)-;3-methysulphonyl-1,2,4-triazine;SCHEMBL18106949;DTXSID30543399;3-Methanesulfonyl-[1,2,4]triazine;TQ0188;AKOS006333561;AT22007;3-METHANESULFONYL-1,2,4-TRIAZINE;CS-0527172;EN300-119103

Chemical Property of 3-(methylsulfonyl)-1,2,4-Triazine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 159.01024758
• Heavy Atom Count: 10
• Complexity: 195

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=NC=CN=N1

Technology Process of 3-(methylsulfonyl)-1,2,4-Triazine

There total 2 articles about 3-(methylsulfonyl)-1,2,4-Triazine 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: 90.0%

3-methylthio-1,2,4-triazine (28735-21-9) → 3-methanesulphonyl-[1,2,4]triazine (105783-77-5)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid;

DOI:10.1016/S0040-4039(00)85497-0

Reference yield: 18.0%

→ 3-methanesulphonyl-[1,2,4]triazine (105783-77-5)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃; for 2h;

Reference yield: 97.0%

C10H14OS + 3-methanesulphonyl-[1,2,4]triazine (105783-77-5) → 3-{[4-(tert-butyl)phenyl]thio}-1,2,4-triazine

Guidance literature:

With sodium carbonate; In acetonitrile; at 20 ℃; for 16h;

DOI:10.1002/ejoc.201600267

upstream raw materials:

3-methylthio-1,2,4-triazine

Downstream raw materials:

3-(2'-cyanophenoxy)-1,2,4-triazine

3-[4-ethoxy-1-(trityloxymethyl)but-3-ynyloxy]-1,2,4-triazine

3-[4-(trimethylsilyl)-1-(trityloxymethyl)but-3-ynyloxy]-1,2,4-triazine

N-benzyl-1,2,4-triazin-3-amine