4-(4-fluorophenoxy)benzenesulfonyl Chloride

Base Information

• Chemical Name: 4-(4-fluorophenoxy)benzenesulfonyl Chloride
• CAS No.: 192329-91-2
• Molecular Formula: C12H8ClFO3S
• Molecular Weight: 286.711
• Hs Code.: 2909309090
• European Community (EC) Number: 813-207-3
• DSSTox Substance ID: DTXSID00382272
• Wikidata: Q82173587
• Mol file: 192329-91-2.mol

Synonyms:4-(4-fluorophenoxy)benzenesulfonyl Chloride;192329-91-2;4-(4-Fluorophenoxy)Benzene-1-Sulfonyl Chloride;4-(4-fluorophenoxy)-benzenesulfonyl chloride;Benzenesulfonyl chloride, 4-(4-fluorophenoxy)-;4-(4-Fluoro-phenoxy)-benzenesulfonyl chloride;SCHEMBL282256;DTXSID00382272;PDAYRCHIAPCRRD-UHFFFAOYSA-N;AR1967;MFCD01631868;AKOS000166547;AS-45246;4-(4-fluorophenoxy)benzenesulfonylchloride;4-(4-fluorophenoxy)phenylsulfonyl chloride;4-(4-fluorophenoxy)-benzenesulfonylchloride;4-(4-fluorophenoxy)benzenesulfonyl-chloride;CS-0073765;[4-(4-fluorophenoxy)phenyl]sulphonyl chloride;4-(4-Fluoro-phenoxy)-benzenesulphonyl chloride;EN300-265769;A924656;F2167-2769;4-(4-fluoro-phenoxy)-benzenesulfonyl chloride, AldrichCPR

Chemical Property of 4-(4-fluorophenoxy)benzenesulfonyl Chloride

Chemical Property:

• Melting Point: 79-80°C
• Boiling Point: 366.6±27.0 °C(Predicted)
• PSA: 51.75000
• Density: 1.427±0.06 g/cm3(Predicted)
• LogP: 4.62630
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 285.9866711
• Heavy Atom Count: 18
• Complexity: 352

Purity/Quality:

99.0%Min ^*data from raw suppliers

4-(4-Fluorophenoxy)benzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1OC2=CC=C(C=C2)S(=O)(=O)Cl)F

Technology Process of 4-(4-fluorophenoxy)benzenesulfonyl Chloride

There total 4 articles about 4-(4-fluorophenoxy)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: 88.0%

4-fluorophenoxybenzene (330-84-7) → 4-(4-fluorophenoxy)benzenesulfonyl chloride (192329-91-2)

Guidance literature:

4-fluorophenoxybenzene; With chlorosulfonic acid; In dichloromethane;

With thionyl chloride; In N,N-dimethyl-formamide;

DOI:10.1124/dmd.118.082453

Reference yield:

4-(4-fluorophenoxy) benzenesulphonic acid (245116-78-3) → 4-(4-fluorophenoxy)benzenesulfonyl chloride (192329-91-2)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; for 6h; Reflux;

Reference yield:

→ 1-[4-(4-fluorophenoxy)benzenesulfonylamino]-cyclopentanecarboxylic acid benzyl ester (220554-11-0) + 4-(4-fluorophenoxy)benzenesulfonyl chloride (192329-91-2)

Guidance literature:

upstream raw materials:

4-fluorophenoxybenzene

4-(4-fluorophenoxy) benzenesulphonic acid

Downstream raw materials:

(1R,3S,5S)-3-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-8-oxa-bicyclo[3.2.1]octane-3-carboxylic acid tert-butyl ester

(S) 2-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-2-hydroxymethyl-pent-4-enoic acid methyl ester

methyl 2(R/S)-amino-3,3-dimethyl-4-pentenoate

5-[4-(4-fluorophenoxy)-benzenesulfonyl]-octahydro-furo[3,2-c]pyridine-4-carboxylic acid

Refernces

• 1、 -. "CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE". Paragraph 00443; 00444. . Retrieved 2018/07/29.
• 2、 -. "SUBSTITUTED TETRAHYDROISOCHINOLINES AS MMP INHIBITORS, RELATED PRODUCTION METHOD AND USE AS MEDICINE". Page/Page column 37. . Retrieved 2008/06/13.