3-[(Phenylsulfanyl)methyl]benzoic acid

Base Information

Chemical Name:3-[(Phenylsulfanyl)methyl]benzoic acid
CAS No.:30082-36-1
Molecular Formula:C14H12O2S
Molecular Weight:244.314
Hs Code.:
ChEMBL ID:CHEMBL4635914
DSSTox Substance ID:DTXSID40576855
Wikidata:Q82466729
Mol file:30082-36-1.mol

Synonyms:Benzoic acid, 3-[(phenylthio)methyl]-;30082-36-1;CHEMBL4635914;3-[(Phenylsulfanyl)methyl]benzoic acid;SCHEMBL6347118;DTXSID40576855;BDBM50544191;AKOS000103581

Suppliers and Price of 3-[(Phenylsulfanyl)methyl]benzoic acid

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
5-Fluoro-2-phenoxybenzaldehyde AldrichCPR
1g
$ 108.00

Total 0 raw suppliers

Chemical Property of 3-[(Phenylsulfanyl)methyl]benzoic acid

Chemical Property:

PSA：62.60000
LogP:3.67710
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:244.05580079
Heavy Atom Count:17
Complexity:249

Purity/Quality:: 5-Fluoro-2-phenoxybenzaldehyde AldrichCPR ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)SCC2=CC(=CC=C2)C(=O)O

Technology Process of 3-[(Phenylsulfanyl)methyl]benzoic acid

There total 3 articles about 3-[(Phenylsulfanyl)methyl]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: 70.0%

: 137571-38-1
3-<(Phenylthio)methyl>methyl benzoate

: 30082-36-1
3-((phenylthio)methyl)benzoic acid

Guidance literature:: With potassium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 12h;
DOI:10.1016/j.bmc.2020.115600

Reference yield:

: 108-98-5
thiophenol

: 1129-28-8
3-methoxycarbonylbenzyl bromide

: 30082-36-1
3-((phenylthio)methyl)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: potassium carbonate / acetone / 16 h / Reflux

2: potassium hydroxide / water; tetrahydrofuran / 12 h / 20 °C

With potassium carbonate; potassium hydroxide; In tetrahydrofuran; water; acetone;
DOI:10.1016/j.bmc.2020.115600