3-Pyridinol, 2-(methylthio)-

Base Information

• Chemical Name: 3-Pyridinol, 2-(methylthio)-
• CAS No.: 32637-37-9
• Molecular Formula: C₆H₇NOS
• Molecular Weight: 141.194
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID00186318
• Nikkaji Number: J124.203B
• Wikidata: Q83057570
• Mol file: 32637-37-9.mol

Synonyms:3-Pyridinol, 2-(methylthio)-;32637-37-9;2-(methylsulfanyl)pyridin-3-ol;3-Pyridinol,2-(methylthio)-(8CI,9CI);2-methylsulfanylpyridin-3-ol;3-pyridinol,2-(methylthio)-;SCHEMBL2140617;2-(Methylsulfanyl)-3-pyridinol;DTXSID00186318;LZMQEAWZBGDJCE-UHFFFAOYSA-N;2-(Methylsulfanyl)-3-pyridinol #;MB01598;EN300-1600115

Chemical Property of 3-Pyridinol, 2-(methylthio)-

Chemical Property:

• Vapor Pressure: 4.61E-05mmHg at 25°C
• Melting Point: 149-154 °C(Solv: ethyl ether (60-29-7))
• Boiling Point: 339.6°Cat760mmHg
• PKA: 7.58±0.10(Predicted)
• Flash Point: 159.2°C
• PSA: 58.42000
• Density: 1.27g/cm³
• LogP: 1.50910
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 141.02483502
• Heavy Atom Count: 9
• Complexity: 89.1

Purity/Quality:

2-(METHYLTHIO)-3-PYRIDINOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=C(C=CC=N1)O

Technology Process of 3-Pyridinol, 2-(methylthio)-

There total 8 articles about 3-Pyridinol, 2-(methylthio)- 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: 84.4%

3-(1-ethoxyethoxy)-2-methylsulfanyl-pyridine (499126-87-3) → 2-(methylsulfanyl)pyridin-3-ol (32637-37-9)

Guidance literature:

With hydrogenchloride; In diethyl ether; at 20 ℃; for 0.166667h;

DOI:10.1023/A:1019585802386

Reference yield: 80.0%

3-hydroxypyridine-2-thione (23003-22-7) + methyl iodide (74-88-4) → 2-(methylsulfanyl)pyridin-3-ol (32637-37-9)

Guidance literature:

With sodium hydroxide; In water; at 25 ℃; for 2h;

Reference yield:

5-(1-ethoxyethoxy)-2-methoxy-6-methylsulfanyl-2,3-dihydro-pyridine (499126-86-2) → 2-(methylsulfanyl)pyridin-3-ol (32637-37-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / 1 h / 120 - 130 °C

2: 84 percent / H(+); water

With water; hydrogen cation;

DOI:10.1134/S1070428007030311

upstream raw materials:

3-hydroxypyridine-2-thione

methyl iodide

3-(1-ethoxyethoxy)-2-methylsulfanyl-pyridine

5-(1-ethoxyethoxy)-2-methoxy-6-methylsulfanyl-2,3-dihydro-pyridine

Refernces

• 1、 Nedolya,Brandsma,Slyakhtina,Fedorov. "First example of the synthesis of 2-methylthio-3-pyridinol [4]". . p. 622 - 624. Retrieved 2002.
• 2、 Katritzky, Alan R.,Grzeskowiak, Nicholas E.. "1,3-Dipolar Character of Six-membered Aromatic Rings. Part 55. 3-Hydroxypyridine-2-thiones: Betaines, Cycloadditions, and Other Reactions". . p. 2345 - 2389. Retrieved 2007/10/02.