3-Methyl-4-phenyl-1,2,5-thiadiazole 1,1-dioxide

Base Information

• Chemical Name: 3-Methyl-4-phenyl-1,2,5-thiadiazole 1,1-dioxide
• CAS No.: 3775-21-1
• Molecular Formula: C9H8N2O2S
• Molecular Weight: 208.241
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID60477638
• Nikkaji Number: J3.581.997E
• Wikidata: Q81986045
• Mol file: 3775-21-1.mol

Synonyms:3775-21-1;SCHEMBL650006;DTXSID60477638;3-METHYL-4-PHENYL-1,2,5-THIADIAZOLE-1,1-DIOXIDE

Chemical Property of 3-Methyl-4-phenyl-1,2,5-thiadiazole 1,1-dioxide

Chemical Property:

• PSA: 67.24000
• LogP: 1.14700
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 208.03064868
• Heavy Atom Count: 14
• Complexity: 384

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NS(=O)(=O)N=C1C2=CC=CC=C2

Technology Process of 3-Methyl-4-phenyl-1,2,5-thiadiazole 1,1-dioxide

There total 10 articles about 3-Methyl-4-phenyl-1,2,5-thiadiazole 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:

3-sec-butoxy-3-methyl-4-phenyl-2,3-dihydro-[1,2,5]thiadiazole 1,1-dioxide → 3-methyl-4-phenyl-1,2,5-thiadiazole-1,1-dioxide (3775-21-1) + iso-butanol (78-92-2,15892-23-6)

Guidance literature:

In acetonitrile; at 25 ℃; Further Variations:; Reagents; Equilibrium constant;

DOI:10.1002/1099-1395(200005)13:5<272::AID-POC241>3.0.CO;2-Y

Reference yield:

3-methyl-4-phenyl-3-propoxy-2,3-dihydro-[1,2,5]thiadiazole 1,1-dioxide → propan-1-ol (71-23-8) + 3-methyl-4-phenyl-1,2,5-thiadiazole-1,1-dioxide (3775-21-1)

Guidance literature:

In acetonitrile; at 25 ℃; Further Variations:; Reagents; Equilibrium constant;

DOI:10.1002/1099-1395(200005)13:5<272::AID-POC241>3.0.CO;2-Y

Reference yield:

3-butoxy-3-methyl-4-phenyl-2,3-dihydro-[1,2,5]thiadiazole 1,1-dioxide → 3-methyl-4-phenyl-1,2,5-thiadiazole-1,1-dioxide (3775-21-1) + butan-1-ol (71-36-3)

Guidance literature:

In acetonitrile; at 25 ℃; Further Variations:; Reagents; Equilibrium constant;

DOI:10.1002/1099-1395(200005)13:5<272::AID-POC241>3.0.CO;2-Y

upstream raw materials:

1-phenyl-acetone

SULFAMIDE

1-Phenylpropane-1,2-dione

Downstream raw materials:

(R)-3-methyl-3-(2-methylbut-3-en-2-yl)-4-phenyl-2,3-dihydro-[1,2,5]thiadiazole-1,1-dioxide

(3R)-3-[(3R)-hex-1-en-3-yl]-3-methyl-4-phenyl-2,3-dihydro-[1,2,5]thiadiazole-1,1-dioxide

(R)-3-(1,1-dideuteroprop-2-en-1-yl)-3-methyl-4-phenyl-2,3-dihydro-[1,2,5]thiadiazole-1,1-dioxide

(R)-3-(3,3-dideuteroprop-2-en-1-yl)-3-methyl-4-phenyl-2,3-dihydro-[1,2,5]thiadiazole-1,1-dioxide