4-Cyano-1-methylpyridinium iodide

Base Information

• Chemical Name: 4-Cyano-1-methylpyridinium iodide
• CAS No.: 1194-04-3
• Molecular Formula: C7H7 N2 . I
• Molecular Weight: 246.05
• Hs Code.: 2933399090
• NSC Number: 122827
• DSSTox Substance ID: DTXSID20380255
• Mol file: 1194-04-3.mol

Synonyms:4-cyano-1-methylpyridinium iodide;1194-04-3;4-cyano-1-methylpyridin-1-ium iodide;1-methylpyridin-1-ium-4-carbonitrile;iodide;4-CYANO-1-METHYLPYRIDINIUMIODIDE;SCHEMBL7051892;DTXSID20380255;BAA19404;4-cyano-1-methylpyridin-1-iumiodide;MFCD00031911;NSC122827;AKOS003234776;NSC 122827;NSC-122827;FT-0708954

Chemical Property of 4-Cyano-1-methylpyridinium iodide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 27.67000
• Density: g/cm³
• LogP: -2.61322
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 245.96540
• Heavy Atom Count: 10
• Complexity: 125

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Cyano-1-methylpyridin-1-iumiodide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1=CC=C(C=C1)C#N.[I-]

Technology Process of 4-Cyano-1-methylpyridinium iodide

There total 2 articles about 4-Cyano-1-methylpyridinium iodide 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: 86.0%

pyridine-4-carbonitrile (100-48-1) + methyl iodide (74-88-4) → 4-cyano-N-methylpyridinium iodide (1194-04-3)

Guidance literature:

In ethanol; for 5h; Inert atmosphere; Cooling with ice;

Reference yield:

→ 4-cyano-N-methylpyridinium iodide (1194-04-3)

Guidance literature:

Reference yield: 87.0%

4-cyano-N-methylpyridinium iodide (1194-04-3) → pyridine-4-carbonitrile (100-48-1)

Guidance literature:

With nicotinic acid; In sulfolane; at 190 ℃; for 0.25h;

upstream raw materials:

pyridine-4-carbonitrile

methyl iodide

Downstream raw materials:

pyridine-4-carbonitrile

methyl-triphenylphosphonium iodide

4-(aminocarbonyl)-1-methylpyridinium iodide

hydrogen cyanide

Refernces

• 1、 Jun, Daniel,Paar, Martin,Binder, Jiri,Marek, Jan,Pohanka, Miroslav,Stodulka, Petr,Kuca, Kamil. "Preparation and in vitro evaluation of monoquaternary inhibitors of brain cholinesterases". . p. 500 - 503. Retrieved 2009.
• 2、 Kondo, Yasuhiko,Uematsu, Ryoichi,Nakamura, Yoshinobu,Kusabayashi, Shigekazu. "Menschutkin Reactions of Bicyclic Aliphatic Amines and of Pyridine Derivatives with Methyl Iodide. Extended Broensted Treatments and Isokinetic Relationships in Acetonitrile-Methanol". . p. 1219 - 1224. Retrieved 1988.
• 3、 Kotov, Vitalii Yu.,Ilyukhin, Andrey B.,Buikin, Petr A.,Yorov, Khursand E.. "Mixed halide hybrid halobismuthates and their in situ transformations". . p. 537 - 540. Retrieved 2019/10/28.