4-(3,5-Dimethyl-1H-pyrazol-1-YL)benzenesulfonyl chloride

Base Information

• Chemical Name: 4-(3,5-Dimethyl-1H-pyrazol-1-YL)benzenesulfonyl chloride
• CAS No.: 61320-20-5
• Molecular Formula: C11H11ClN2O2S
• Molecular Weight: 270.74
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID70485067
• Wikidata: Q82323937
• Mol file: 61320-20-5.mol

Synonyms:61320-20-5;4-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)BENZENESULFONYL CHLORIDE;4-(3,5-dimethylpyrazol-1-yl)benzenesulfonyl chloride;4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonyl chloride;SCHEMBL15571296;DTXSID70485067;MFCD09817557;AKOS016016433;AS-9771;BB 0262536;CS-0360061;FT-0706752;4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonylchloride;4-(3,5-dimethyl-1H-pyrazol-1-yl)benzenesulfonyl chloride, AldrichCPR

Chemical Property of 4-(3,5-Dimethyl-1H-pyrazol-1-YL)benzenesulfonyl chloride

Chemical Property:

• Vapor Pressure: 8.38E-06mmHg at 25°C
• Melting Point: 75.5-79°C
• Refractive Index: 1.622
• Boiling Point: 385.6°C at 760 mmHg
• PKA: 0.45±0.10(Predicted)
• Flash Point: 187°C
• PSA: 60.34000
• Density: 1.38g/cm³
• LogP: 3.49740
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 270.0229765
• Heavy Atom Count: 17
• Complexity: 360

Purity/Quality:

97% ^*data from raw suppliers

4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NN1C2=CC=C(C=C2)S(=O)(=O)Cl)C

Technology Process of 4-(3,5-Dimethyl-1H-pyrazol-1-YL)benzenesulfonyl chloride

There total 3 articles about 4-(3,5-Dimethyl-1H-pyrazol-1-YL)benzenesulfonyl chloride 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%

4-(3,5-dimethyl-1H-pyrazol-1-yl)benzenesulfonic acid (91088-11-8) → 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonyl chloride (61320-20-5)

Guidance literature:

With phosphorus pentachloride; In dichloromethane; at 90 ℃; for 14h;

Reference yield: 75.0%

3,5-dimethyl-1-phenyl-1H-pyrazole (1131-16-4) → 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonyl chloride (61320-20-5)

Guidance literature:

With chlorosulfonic acid; In 1,4-dioxane; at 20 ℃; for 0.5h;

Reference yield:

→ 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonyl chloride (61320-20-5)

Guidance literature:

3,5-Dimethyl-1-phenyl-pyrazol (I), (Chlorsulfonierung);

upstream raw materials:

3,5-dimethyl-1-phenyl-1H-pyrazole

4-(3,5-dimethyl-1H-pyrazol-1-yl)benzenesulfonic acid

Downstream raw materials:

4-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(5-(5-(2-methyl-1-oxoisoindolin-5-yl)thiophen-2-yl)pyridin-3-yl)benzenesulfonamide

N-(3-(benzo[d]thiazol-2-yl)thiopen-2-yl)-4-(3,5-dimethyl-1H-pyrazol-1-yl)benzenesulfonamide

3,5-dimethyl-1H-pyrazol-1-yl 4-(3',5'-dimethyl-1H-pyrazol-1-yl)phenyl sulphone

Refernces

• 1、 Thakur, Alok S.,Deshmukh, Ravitas,Jha, Arvind K.,Kumar, P. Sudhir. "The design, synthesis and pharmacological evaluation of pyrazole containing sulfonylurea derivatives as potent Gsk3B inhibitor for blood glucose lowering effect". . p. 173 - 178. Retrieved 2019/01/18.