1,2,3-Thiadiazole, 2,5-dihydro-4-methyl-2-phenyl-, 1,1-dioxide

Base Information

• Chemical Name: 1,2,3-Thiadiazole, 2,5-dihydro-4-methyl-2-phenyl-, 1,1-dioxide
• CAS No.: 115271-81-3
• Molecular Formula: C9H10N2O2S
• Molecular Weight: 210.257
• DSSTox Substance ID: DTXSID50469365
• Nikkaji Number: J1.690.345K
• Wikidata: Q82297042
• Mol file: 115271-81-3.mol

Synonyms:1,2,3-Thiadiazole, 2,5-dihydro-4-methyl-2-phenyl-, 1,1-dioxide;115271-81-3;DTXSID50469365;ZQZOLBWJDSYREU-UHFFFAOYSA-N;4-methyl-2-phenyl-2,5-dihydro-1,2,3-thiadiazole 1,1-dioxide

Chemical Property of 1,2,3-Thiadiazole, 2,5-dihydro-4-methyl-2-phenyl-, 1,1-dioxide

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 210.04629874
• Heavy Atom Count: 14
• Complexity: 336

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(S(=O)(=O)C1)C2=CC=CC=C2

Technology Process of 1,2,3-Thiadiazole, 2,5-dihydro-4-methyl-2-phenyl-, 1,1-dioxide

There total 3 articles about 1,2,3-Thiadiazole, 2,5-dihydro-4-methyl-2-phenyl-, 1,1-dioxide 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: 60.0%

sodium; 2-(phenyl-hydrazono)-propane-1-sulfonate → 4-methyl-2-phenyl-2,5-dihydro-[1,2,3]thiadiazole-1,1-dioxide (115271-81-3)

Guidance literature:

With phosphorus trichloride; at 70 ℃; for 4h;

DOI:10.1021/ol0165645

Reference yield:

phenylhydrazine (100-63-0) → 4-methyl-2-phenyl-2,5-dihydro-[1,2,3]thiadiazole-1,1-dioxide (115271-81-3)

Guidance literature:

Multi-step reaction with 2 steps

1: AcOH / ethanol / 12 h / Heating

2: 60 percent / PCl₃ / 4 h / 70 °C

With acetic acid; phosphorus trichloride; In ethanol;

DOI:10.1021/ol0165645

Reference yield:

→ 4-methyl-2-phenyl-2,5-dihydro-[1,2,3]thiadiazole-1,1-dioxide (115271-81-3)

Guidance literature:

With phosphorus trichloride;

upstream raw materials:

phenylhydrazine

Downstream raw materials:

2-phenylazopropene

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