4-{[(Pyridin-4-yl)sulfanyl]methyl}benzoic acid

Base Information

Chemical Name:4-{[(Pyridin-4-yl)sulfanyl]methyl}benzoic acid
CAS No.:82145-82-2
Molecular Formula:C13H11NO2S
Molecular Weight:245.302
Hs Code.:
DSSTox Substance ID:DTXSID40511049
Nikkaji Number:J1.966.031A
Wikidata:Q82369650

Synonyms:82145-82-2;4-{[(Pyridin-4-yl)sulfanyl]methyl}benzoic acid;SCHEMBL11187836;DTXSID40511049;AKOS018612934;4-[(4-Pyridinylthio)methyl]benzoic acid

Suppliers and Price of 4-{[(Pyridin-4-yl)sulfanyl]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

Total 1 raw suppliers

Chemical Property of 4-{[(Pyridin-4-yl)sulfanyl]methyl}benzoic acid

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:245.05104977
Heavy Atom Count:17
Complexity:246

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1CSC2=CC=NC=C2)C(=O)O

Technology Process of 4-{[(Pyridin-4-yl)sulfanyl]methyl}benzoic acid

There total 1 articles about 4-{[(Pyridin-4-yl)sulfanyl]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:

: 4556-23-4
pyridine-4-thiol

: 6232-88-8
4-bromomethylbenzoic Acid

: 82145-82-2
4-sulfanylmethyl-4'-phenylcarboxyl pyridine

Guidance literature:: In water; Heating;
DOI:10.1039/b308007b

Reference yield: 65.0%

: zinc(II) nitrate hexahydrate

: 7732-18-5
water

: 82145-82-2
4-sulfanylmethyl-4'-phenylcarboxyl pyridine

: Zn(II)(4-sulfanylmethyl-4'-phenylcarboxylate pyridine)(OH)

Guidance literature:: With triethylamine; In methanol; water; slow diffusion of qa. ligand soln. into methanolic soln. of salt in the presence of thiethylamine; elem. anal., XRD;
DOI:10.1039/b308007b

Reference yield: 60.0%

: 7732-18-5
water

: silver nitrate

: 82145-82-2
4-sulfanylmethyl-4'-phenylcarboxyl pyridine

: [Ag2(μ-4-(4-pyridylthiomethyl)benzoate)(μ3-4-(4-pyridylthiomethyl)benzoate)]*2H2O

Guidance literature:: With NH₃; In water; acetonitrile; a mixt. of AgNO3 and ligand in MeCN/H2O stirred for 0.5 h, NH3/H2O addeddropwise; crystd. for 5 d at room temp.; elem. anal.;
DOI:10.1016/j.molstruc.2004.10.037