4-(1H-Pyrazol-1-YL)benzenesulfonyl chloride

Base Information

• Chemical Name: 4-(1H-Pyrazol-1-YL)benzenesulfonyl chloride
• CAS No.: 18336-39-5
• Molecular Formula: C9H7ClN2O2S
• Molecular Weight: 242.686
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID00380112
• Wikidata: Q82170177
• Mol file: 18336-39-5.mol

Synonyms:18336-39-5;4-(1H-PYRAZOL-1-YL)BENZENESULFONYL CHLORIDE;4-pyrazol-1-ylbenzenesulfonyl Chloride;4-(1H-Pyrazol-1-yl)benzene-1-sulfonyl chloride;Benzenesulfonyl chloride, 4-(1H-pyrazol-1-yl)-;Benzenesulfonylchloride, 4-(1H-pyrazol-1-yl)-;SCHEMBL295953;DTXSID00380112;AHXRGFFTKHQGOE-UHFFFAOYSA-N;BCP34362;BBL011540;MFCD02681937;STL146660;4-pyrazol-1-yl-benzenesulfonylchloride;AKOS005720908;4-Pyrazol-1-yl-benzenesulfonyl chloride;AS-31409;1-[4-(Chlorosulphonyl)phenyl]-1H-pyrazole;FT-0616476;4-(1-h-pyrazol-1-yl)benzenesulfonyl chloride;4-(1H-Pyrazol-1-yl)benzenesulphonyl chloride;EN300-235636;A812771;J-513221;4-(1H-pyrazol-1-yl)benzenesulfonyl chloride, AldrichCPR;F2158-1835

Chemical Property of 4-(1H-Pyrazol-1-YL)benzenesulfonyl chloride

Chemical Property:

• Vapor Pressure: 4.68E-05mmHg at 25°C
• Melting Point: 109℃
• Refractive Index: 1.648
• Boiling Point: 360.2 °C at 760 mmHg
• Flash Point: 171.7 °C
• PSA: 60.34000
• Density: 1.46 g/cm³
• LogP: 2.88060
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 241.9916763
• Heavy Atom Count: 15
• Complexity: 307

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(1H-Pyrazol-1-yl)benzenesulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: R34:Causes burns.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(N=C1)C2=CC=C(C=C2)S(=O)(=O)Cl

Technology Process of 4-(1H-Pyrazol-1-YL)benzenesulfonyl chloride

There total 2 articles about 4-(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:

1-phenylpyrazole (1126-00-7) → 4-(1H-pyrazol-1-yl)benzene-1-sulfonyl chloride (18336-39-5)

Guidance literature:

With chlorosulfonic acid; thionyl chloride; at 70 ℃; for 6h; regiospecific reaction; Inert atmosphere;

DOI:10.1080/14756366.2017.1344236

Reference yield:

→ 4-(1H-pyrazol-1-yl)benzene-1-sulfonyl chloride (18336-39-5)

Guidance literature:

p--benzol-sulfonsaeure, PCl5;

Reference yield: 100.0%

8-amino quinoline (578-66-5) + 4-(1H-pyrazol-1-yl)benzene-1-sulfonyl chloride (18336-39-5) → 4-(1H-pyrazol-1-yl)-N-(quinolin-8-yl)benzenesulfonamide (1232007-52-1)

Guidance literature:

With pyridine; at 130 ℃; for 0.05h; Microwave irradiation; Inert atmosphere;

DOI:10.1021/ja101088j

upstream raw materials:

1-phenylpyrazole

Downstream raw materials:

N-(3-(benzo[d]thiazol-2-yl)thiophen-2-yl)-4-(1H-pyrazol-1-yl)benzenesulfonamide

Methyl 3-[4-(1H-pyrazol-1-yl)phenylsulfonamido]thiophene-2-carboxylate

4-(1H-pyrazol-1-yl)-N-(quinolin-8-yl)benzenesulfonamide

C₂₂H₁₇N₅O₂S

Refernces