3-Ethyl-2-methylnaphtho(2,1-d)thiazolium iodide

Base Information

• Chemical Name: 3-Ethyl-2-methylnaphtho(2,1-d)thiazolium iodide
• CAS No.: 54581-48-5
• Molecular Formula: C14H14 N S . I
• Molecular Weight: 355.242
• Hs Code.: 2934999090
• European Community (EC) Number: 259-243-8
• DSSTox Substance ID: DTXSID90969834
• Mol file: 54581-48-5.mol

Synonyms:EINECS 259-243-8;3-Ethyl-2-methylnaphtho(2,1-d)thiazolium iodide;54581-48-5;3-ethyl-2-methylnaphtho[2,1-d]thiazolium iodide;C14H14NS.I;SCHEMBL3053673;DTXSID90969834;SR-01000313368;SR-01000313368-1;3-ETHYL-2-METHYLNAPHTHO[2,1-D][1,3]THIAZOL-3-IUM IODIDE

Chemical Property of 3-Ethyl-2-methylnaphtho(2,1-d)thiazolium iodide

Chemical Property:

• PSA: 32.12000
• LogP: 0.67430
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 354.98917
• Heavy Atom Count: 17
• Complexity: 255

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[N+]1=C(SC2=C1C=CC3=CC=CC=C32)C.[I-]

Technology Process of 3-Ethyl-2-methylnaphtho(2,1-d)thiazolium iodide

There total 2 articles about 3-Ethyl-2-methylnaphtho(2,1-d)thiazolium 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: 75.0%

ethyl iodide (75-03-6) + 2-methylnaphtho[2,1-d]thiazole (20686-62-8) → 3-ethyl-2-methylnaphtho[2,1-d]thiazol-3-ium iodide (54581-48-5)

Guidance literature:

In acetonitrile; Reflux; Inert atmosphere;

DOI:10.1021/jm501452j

Reference yield:

ethyl iodide (75-03-6) → 3-ethyl-2-methylnaphtho[2,1-d]thiazol-3-ium iodide (54581-48-5)

Guidance literature:

at 100 ℃; im Rohr;

Reference yield: 87.0%

3-ethyl-2-methylnaphtho[2,1-d]thiazol-3-ium iodide (54581-48-5) → diethyl ether (60-29-7,927820-24-4) + ethene (74-85-1) + ethyl iodide (75-03-6) + 2-methyl-3-ethylnaphtho<2,1-d>thiazolium bisulfate

Guidance literature:

With diethyl sulfate; at 100 ℃; for 0.5h; Product distribution;

upstream raw materials:

ethyl iodide

2-methylnaphtho[2,1-d]thiazole

Downstream raw materials:

3-ethyl-2-(4-dimethylamino-styryl)-naphtho[2,1-d]thiazolium; iodide

1,5-bis-(3-ethyl-naphtho[2,1-d]thiazol-2-yl)-3-(2-phenyl-acetylamino)-pentamethinium; iodide

diethyl ether

ethene

Refernces

• 1、 Hu, Hao,Owens, Eric A.,Su, Hairui,Yan, Leilei,Levitz, Andrew,Zhao, Xinyang,Henary, Maged,Zheng, Yujun George. "Exploration of cyanine compounds as selective inhibitors of protein arginine methyltransferases: Synthesis and biological evaluation". . p. 1228 - 1243. Retrieved 2015/03/04.