2-(Methylthio)-5-nitropyridine

Base Information

• Chemical Name: 2-(Methylthio)-5-nitropyridine
• CAS No.: 20885-21-6
• Molecular Formula: C6H6N2O2S
• Molecular Weight: 170.19
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80403318
• Nikkaji Number: J811.578H
• Wikidata: Q82206953
• Mol file: 20885-21-6.mol

Synonyms:2-(methylthio)-5-nitropyridine;20885-21-6;2-methylsulfanyl-5-nitropyridine;2-methylsulfanyl-5-nitro-pyridine;2-methylthio-5-nitro-pyridine;SCHEMBL1492538;3-nitro-6-(methylthio)pyridine;DTXSID80403318;SUATXLIQPPUGPW-UHFFFAOYSA-N;MFCD01928484;AKOS006240707;2,4-DIAMINO-2-METHYL-BUTYRICACID;AM100494;BS-42165;PYRIDINE,2-(METHYLTHIO)-5-NITRO-;2-(METHYLSULFANYL)-5-NITROPYRIDINE;InChI=1/C6H6N2O2S/c1-11-6-3-2-5(4-7-6)8(9)10/h2-4H,1H

Chemical Property of 2-(Methylthio)-5-nitropyridine

Chemical Property:

• Boiling Point: 309.9 °C at 760 mmHg
• Flash Point: 141.2 °C
• PSA: 84.01000
• Density: 1.35 g/cm³
• LogP: 2.23490
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 170.01499861
• Heavy Atom Count: 11
• Complexity: 148

Purity/Quality:

99% ^*data from raw suppliers

2-(Methylthio)-5-nitropyridine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC=C(C=C1)[N+](=O)[O-]

Technology Process of 2-(Methylthio)-5-nitropyridine

There total 14 articles about 2-(Methylthio)-5-nitropyridine 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: 100.0%

2-mercapto-5-nitropyridine (2127-09-5) + methyl iodide (74-88-4) → 3-nitro-6-(methylthio)pyridine (20885-21-6)

Guidance literature:

With monosodium carbonate; In ethanol; water; at 20 ℃; for 1h;

Reference yield: 97.0%

2-chloro-5-nitropyridine (4548-45-2) + sodium thiomethoxide (5188-07-8) → 3-nitro-6-(methylthio)pyridine (20885-21-6)

Guidance literature:

With triethylamine; In methanol; at 20 ℃; for 2h;

Reference yield: 97.0%

2-chloro-5-nitropyridine (4548-45-2) + methylthiol (74-93-1) → 3-nitro-6-(methylthio)pyridine (20885-21-6)

Guidance literature:

With triethylamine; In methanol; for 2h; Ambient temperature;

upstream raw materials:

diazomethane

2-mercapto-5-nitropyridine

methyl iodide

2-chloro-5-nitropyridine

Downstream raw materials:

3-Nitro-6-(methylsulfonyl)pyridine

{4-[(S)-6-(4-chloro-2-methanesulfonylphenyl)-4-hydroxy-6-methyl-4-trifluoromethylhept-1-ynyl]-6-methanesulfonylpyridin-3-yl}carbamic acid tert-butyl ester

(R)-4-(4-chloro-2-methanesulfonylphenyl)-1,1,1-trifluoro-2-(5-methanesulfonyl-1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)-4-methylpentan-2-ol

(6-methylsulfanyl-4-iodopyridin-3-yl)carbamic acid tert-butyl ester

Refernces

• 1、 Zhang, Caiyang,Zhou, You,Huang, Jintao,Tu, Canhui,Zhou, Xiaoai,Yin, Guodong. "Cesium carbonate-promoted synthesis of aryl methyl sulfides using: S -methylisothiourea sulfate under transition-metal-free conditions". . p. 6316 - 6321. Retrieved 2018/09/10.
• 2、 -. "SUBSTITUTED PYRAZOLE ANALOGUES AS RAR ANTAGONISTS". Page/Page column 18. . Retrieved 2013/05/22.