5-Fluoro-2-(phenylthio)benzoic acid

Base Information

Chemical Name:5-Fluoro-2-(phenylthio)benzoic acid
CAS No.:52548-64-8
Molecular Formula:C₁₃H₉FO₂S
Molecular Weight:248.278
Hs Code.:
DSSTox Substance ID:DTXSID101292360
Wikidata:Q107848970

Synonyms:5-fluoro-2-(phenylthio)benzoic acid;SCHEMBL11711032;RWIODUJYRUEMRB-UHFFFAOYSA-N;DTXSID101292360;3-fluoro-6-(phenylthio)-benzoic acid;AKOS012984403;52548-64-8

Suppliers and Price of 5-Fluoro-2-(phenylthio)benzoic acid

Supply Marketing:

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

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Chemical Property of 5-Fluoro-2-(phenylthio)benzoic acid

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:248.03072886
Heavy Atom Count:17
Complexity:266

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)SC2=C(C=C(C=C2)F)C(=O)O

Technology Process of 5-Fluoro-2-(phenylthio)benzoic acid

There total 4 articles about 5-Fluoro-2-(phenylthio)benzoic acid 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: 62.0%

: 394-28-5
2-Bromo-5-fluorobenzoic acid

: 108-98-5
thiophenol

: 52548-64-8
5-fluoro-2-(phenylthio)benzoic acid

Guidance literature:: With copper; potassium carbonate; In N,N-dimethyl-formamide; at 150 ℃; for 12h;
DOI:10.1039/c6ob01758d

Reference yield:

: 52548-63-7
5-fluoro-2-iodobenzoic acid

: 12775-96-1,15158-11-9,15721-63-8,16941-75-6,17493-86-6,19498-52-3,20499-83-6,20499-84-7,20499-85-8,20499-86-9,20573-10-8,20573-11-9,21595-51-7,21595-52-8,22206-52-6,26445-28-3,28959-95-7,37362-93-9,39417-05-5,54603-16-6,54603-23-5,54603-32-6,54603-40-6,54603-48-4,54603-81-5,54603-89-3,56316-56-4,95985-91-4,122297-32-9,7440-50-8
copper

: 108-98-5
thiophenol

: 52548-64-8
5-fluoro-2-(phenylthio)benzoic acid

Guidance literature:: With potassium hydroxide; In water;

Reference yield:

: 52548-62-6
2-amino-5-fluorobenzoic acid hydrochloride

: 52548-64-8
5-fluoro-2-(phenylthio)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: potassium iodide; sodium nitrite / sulfuric acid; water

2: potassium hydroxide / water

With potassium hydroxide; potassium iodide; sodium nitrite; In sulfuric acid; water;