3-Methyl-6-(phenylthio)-benzoic acid

Base Information

Chemical Name:3-Methyl-6-(phenylthio)-benzoic acid
CAS No.:52548-15-9
Molecular Formula:C₁₄H₁₂O₂S
Molecular Weight:244.314
Hs Code.:
DSSTox Substance ID:DTXSID701293728
Wikidata:Q107848916

Synonyms:3-methyl-6-(phenylthio)-benzoic acid;SCHEMBL11704293;RVRNJDIRDPQVLJ-UHFFFAOYSA-N;DTXSID701293728;5-Methyl-2-(phenylthio)benzoic acid;AKOS011799073;3--methyl-6-(phenylthio)-benzoic acid;52548-15-9

Suppliers and Price of 3-Methyl-6-(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 3-Methyl-6-(phenylthio)-benzoic acid

Chemical Property:

XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:244.05580079
Heavy Atom Count:17
Complexity:261

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=C(C=C1)SC2=CC=CC=C2)C(=O)O

Technology Process of 3-Methyl-6-(phenylthio)-benzoic acid

There total 7 articles about 3-Methyl-6-(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: 81.0%

: 5-methyl-2-(phenylthio)-N-(2-(pyridin-2-yl)propan-2-yl)benzamide

: 52548-15-9
3-methyl-6-(phenylthio)-benzoic acid

Guidance literature:: With hydrogenchloride; In water; at 140 ℃; for 72h; Schlenk technique;
DOI:10.1039/c4cc10431e

Reference yield: 68.0%

: 882-33-7
diphenyldisulfane

: 99-04-7
m-Toluic acid

: 52548-15-9
3-methyl-6-(phenylthio)-benzoic acid

Guidance literature:: With [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂; sodium hydrogencarbonate; tricyclohexylphosphine; In N,N-dimethyl-formamide; at 130 ℃; for 48h;
DOI:10.1021/acs.orglett.7b00996

Reference yield:

: 5326-39-6
4-iodo-3-nitrotoluene

: 52548-15-9
3-methyl-6-(phenylthio)-benzoic acid

Guidance literature:: Multi-step reaction with 4 steps

1: FeSO₄, aq. NH₃

2: (i) NaNO₂, aq. HCl, (ii) /BRN= 3587244/

3: Cu, K₂CO₃ / dimethylformamide

4: aq. H₂SO₄

With ammonium hydroxide; sulfuric acid; copper; potassium carbonate; iron(II) sulfate; In N,N-dimethyl-formamide;
DOI:10.1135/cccc19792677