Pyridine, 4-(phenylthio)-

Base Information

• Chemical Name: Pyridine, 4-(phenylthio)-
• CAS No.: 33399-48-3
• Molecular Formula: C11H9 N S
• Molecular Weight: 187.265
• Hs Code.: 2933399090
• European Community (EC) Number: 251-495-7
• NSC Number: 193506
• UNII: 2OGT9W00FJ
• DSSTox Substance ID: DTXSID0067763
• Nikkaji Number: J308.481G
• Wikidata: Q81994406
• ChEMBL ID: CHEMBL2136828
• Mol file: 33399-48-3.mol

Synonyms:Pyridine, 4-(phenylthio)-;4-(Phenylthio)pyridine;33399-48-3;4-(PHENYLSULFANYL)PYRIDINE;2OGT9W00FJ;MLS003107005;EINECS 251-495-7;NSC 193506;NSC-193506;4-phenylsulfanylpyridine;NSC193506;S(c1ccccc1)c2ccncc2;4-phenylmercapto-pyridine;phenyl 4-pyridinyl sulfide;UNII-2OGT9W00FJ;SCHEMBL7354050;CHEMBL2136828;DTXSID0067763;AKOS006274196;SMR001821886;EN300-5176709

Chemical Property of Pyridine, 4-(phenylthio)-

Chemical Property:

• Vapor Pressure: 0.000587mmHg at 25°C
• Boiling Point: 320.7°C at 760 mmHg
• Flash Point: 147.7°C
• PSA: 38.19000
• Density: 1.18g/cm³
• LogP: 3.23280
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 187.04557046
• Heavy Atom Count: 13
• Complexity: 137

Purity/Quality:

99% ^*data from raw suppliers

4-(PHENYLTHIO)PYRIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SC2=CC=NC=C2

Technology Process of Pyridine, 4-(phenylthio)-

There total 36 articles about Pyridine, 4-(phenylthio)- 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: 99.0%

4-iodopyridine (15854-87-2) + sodium thiophenolate (930-69-8) → 4-(phenylthio)pyridine (33399-48-3)

Guidance literature:

In 1-methyl-pyrrolidin-2-one; at 110 ℃; for 0.05h; microwave irradiation;

DOI:10.1016/S0040-4020(02)00424-6

Reference yield: 97.0%

pyridine-4-thiol (4556-23-4) + bromobenzene (108-86-1,52753-63-6) → 4-(phenylthio)pyridine (33399-48-3)

Guidance literature:

With C₃₀H₃₂Cl₃N₄Ni₂⁽¹⁺⁾*Cl^(1-); potassium hydroxide; In 1,4-dioxane; at 40 ℃; for 6h; Reagent/catalyst;

DOI:10.1021/acs.organomet.0c00732

Reference yield: 93.0%

4-iodopyridine (15854-87-2) + thiophenol (108-98-5) → 4-(phenylthio)pyridine (33399-48-3)

Guidance literature:

With 5%-palladium/activated carbon; potassium hydroxide; In dimethyl sulfoxide; at 110 ℃; for 9h; Inert atmosphere;

DOI:10.1002/adsc.200900501

upstream raw materials:

4-Chloropyridine

thiophenol

4-phenylsulfanyl-pyridine-1-oxide

4-phenylsulfanyl-nicotinic acid

Downstream raw materials:

1-ethyl-4-phenylsulfanyl-pyridinium; iodide

3-ethyl-5-(1-phenacyl-1H-[4]pyridylidene)-2-thioxo-thiazolidin-4-one

N-methyl-4-(phenylthio)pyridinium iodide

N-phenylpyridin-4-amine