1,3-dimethyl-1H-pyrazole-4-sulfonyl chloride

Base Information

• Chemical Name: 1,3-dimethyl-1H-pyrazole-4-sulfonyl chloride
• CAS No.: 89501-93-9
• Molecular Formula: C₅H₇ClN₂O₂S
• Molecular Weight: 194.642
• Hs Code.: 2933199090
• European Community (EC) Number: 675-151-4
• DSSTox Substance ID: DTXSID30405049
• Wikidata: Q82209422
• Mol file: 89501-93-9.mol

Synonyms:1,3-dimethyl-1H-pyrazole-4-sulfonyl chloride;89501-93-9;1,3-dimethylpyrazole-4-sulfonyl chloride;MFCD03944999;SCHEMBL2003409;DTXSID30405049;AFFSTQSBJFQGPY-UHFFFAOYSA-N;AMY33100;AKOS000302347;AT10987;FS-4993;SY185098;1,3-Dimethyl-1H-pyrazole-4-sulfonylchloride;CS-0197482;FT-0677817;EN300-78508;A861154;1H-Pyrazole-4-sulfonylchloride,1,3-dimethyl-(9CI)

Chemical Property of 1,3-dimethyl-1H-pyrazole-4-sulfonyl chloride

Chemical Property:

• Boiling Point: 303.4±30.0 °C(Predicted)
• PKA: -2.86±0.10(Predicted)
• PSA: 60.34000
• Density: 1.52±0.1 g/cm3(Predicted)
• LogP: 1.73680
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 193.9916763
• Heavy Atom Count: 11
• Complexity: 235

Purity/Quality:

97% ^*data from raw suppliers

1,3-dimethyl-1H-pyrazole-4-sulfonylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C=C1S(=O)(=O)Cl)C

Technology Process of 1,3-dimethyl-1H-pyrazole-4-sulfonyl chloride

There total 1 articles about 1,3-dimethyl-1H-pyrazole-4-sulfonyl 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:

→ 1,3-dimethyl-1H-pyrazole-4-sulfonyl chloride (89501-93-9)

Guidance literature:

With chlorosulfonic acid; In chloroform; at 0 - 60 ℃; for 15h; Inert atmosphere;

With thionyl chloride; In dichloromethane; chloroform; at 60 ℃; for 2h;

Reference yield:

1,3-dimethyl-1H-pyrazole-4-sulfonyl chloride (89501-93-9) → 1,3-dimethyl-1H-pyrazole-4-sulfonamide (88398-53-2)

Guidance literature:

With ammonium hydroxide; In tetrahydrofuran; at 0 - 20 ℃; for 64h;

Reference yield:

1,3-dimethyl-1H-pyrazole-4-sulfonyl chloride (89501-93-9) → 6-[3-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3,3-trifluoro-2-methylpropoxy]pyrazol-1-yl]-2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide

Guidance literature:

Multi-step reaction with 2 steps

1.1: ammonium hydroxide / dichloromethane / 0 - 5 °C

2.1: 1,1'-carbonyldiimidazole / tetrahydrofuran / 2 h / 20 °C

2.2: 2 h / 20 °C

With ammonium hydroxide; 1,1'-carbonyldiimidazole; In tetrahydrofuran; dichloromethane;

Downstream raw materials:

1,3-dimethyl-1H-pyrazole-4-sulfonamide

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