2-(4-Chlorophenyl)-5-(methanesulfonyl)-1,3,4-thiadiazole

Base Information

Chemical Name:2-(4-Chlorophenyl)-5-(methanesulfonyl)-1,3,4-thiadiazole
CAS No.:63857-87-4
Molecular Formula:C₉H₇ClN₂O₂S₂
Molecular Weight:274.752
Hs Code.:
DSSTox Substance ID:DTXSID70515419
Wikidata:Q82376286

Synonyms:63857-87-4;SCHEMBL9681615;DTXSID70515419;2-(4-Chlorophenyl)-5-(methanesulfonyl)-1,3,4-thiadiazole;2-(4-Chlorophenyl)-5-(methylsulfonyl)-1,3,4-thiadiazole

Suppliers and Price of 2-(4-Chlorophenyl)-5-(methanesulfonyl)-1,3,4-thiadiazole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-(4-Chlorophenyl)-5-(methanesulfonyl)-1,3,4-thiadiazole

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:273.9637475
Heavy Atom Count:16
Complexity:336

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CS(=O)(=O)C1=NN=C(S1)C2=CC=C(C=C2)Cl

Technology Process of 2-(4-Chlorophenyl)-5-(methanesulfonyl)-1,3,4-thiadiazole

There total 2 articles about 2-(4-Chlorophenyl)-5-(methanesulfonyl)-1,3,4-thiadiazole 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: 24.0%

: 86738-30-9
3-acetyl-2-(4-chlorophenyl)-5-(methylthio)-2,3-dihydro-1,3,4-thiadiazole

: 63857-87-4
5-(4-chlorophenyl)-2-methylsulfonyl-1,3,4-thiadiazole

: 86738-42-3
1-[2-(4-Chloro-phenyl)-5-methanesulfonyl-[1,3,4]thiadiazol-3-yl]-ethanone

: 86738-45-6
1-[2-(4-Chloro-phenyl)-5-methanesulfonyl-1,1-dioxo-1,2-dihydro-1λ⁶-[1,3,4]thiadiazol-3-yl]-ethanone

Guidance literature:: With potassium permanganate; acetic acid; for 1h;
DOI:10.1039/P19830000967

Reference yield:

: 25996-57-0
methyl 2-(4-chlorobenzylidene)hydrazinecarbodithioate

: 63857-87-4
5-(4-chlorophenyl)-2-methylsulfonyl-1,3,4-thiadiazole

Guidance literature:: Multi-step reaction with 2 steps

1: 93 percent / 1 h / 100 °C

2: 29 percent / KMnO₄, CH₃COOH / 1 h

With potassium permanganate; acetic acid;
DOI:10.1039/P19830000967

Reference yield:

: 63857-87-4
5-(4-chlorophenyl)-2-methylsulfonyl-1,3,4-thiadiazole

: 139335-40-3
3-[5-(4-Chloro-phenyl)-[1,3,4]thiadiazol-2-yl]-propionic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) n-BuLi, diisopropylamine / 1.) THF, hexane, -78 deg C, 30 min, 2.) THF, -78 deg C, 1 h

2: 1.) NaH / 1.) THF, 0 deg C, 1 h, 2.) THF, 30 min

3: 94 percent / KOH / ethanol; H₂O / 1 h / 50 °C

With potassium hydroxide; n-butyllithium; sodium hydride; diisopropylamine; In ethanol; water;
DOI:10.1248/cpb.39.2837