3-ETHYL-2-METHYLBENZOTHIAZOLIUM IODIDE

Base Information

• Chemical Name: 3-ETHYL-2-METHYLBENZOTHIAZOLIUM IODIDE
• CAS No.: 3119-93-5
• Molecular Formula: C10H12 N S . I
• Molecular Weight: 305.182
• Hs Code.: 2934999090
• European Community (EC) Number: 221-494-6
• DSSTox Substance ID: DTXSID00883951
• ChEMBL ID: CHEMBL2393313
• Mol file: 3119-93-5.mol

Synonyms:3-Ethyl-2-methylbenzothiazoliumiodide (6CI,7CI);Benzothiazolium, 3-ethyl-2-methyl-, iodide (8CI,9CI);2-Methyl-3-ethylbenzothiazoliumiodide;2-Methylbenzothiazole ethiodide;2-Methylbenzothiazole ethyl iodide;N-Ethyl-2-methylbenzothiazolium iodide;

Chemical Property of 3-ETHYL-2-METHYLBENZOTHIAZOLIUM IODIDE

Chemical Property:

• Melting Point: 195197°C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 32.12000
• Density: g/cm³
• LogP: -0.47890
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 304.97352
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

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

3-Ethyl-2-methylbenzo[d]thiazol-3-iumIodide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC[N+]1=C(SC2=CC=CC=C21)C.[I-]

Technology Process of 3-ETHYL-2-METHYLBENZOTHIAZOLIUM IODIDE

There total 3 articles about 3-ETHYL-2-METHYLBENZOTHIAZOLIUM 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: 92.0%

2-Methylbenzothiazole (120-75-2) + ethyl iodide (75-03-6) → N-ethyl-2-methylbenzothiazolium iodide (3119-93-5)

Guidance literature:

In N,N-dimethyl-formamide; Reflux;

DOI:10.1039/c6ra23320a

Reference yield:

ethyl iodide (75-03-6) + 2-ethoxymethyl-1,3-benzothiazole (86321-58-6) → N-ethyl-2-methylbenzothiazolium iodide (3119-93-5)

Guidance literature:

at 140 ℃;

Reference yield:

→ N-ethyl-2-methylbenzothiazolium iodide (3119-93-5)

Guidance literature:

upstream raw materials:

2-Methylbenzothiazole

ethyl iodide

2-ethoxymethyl-1,3-benzothiazole

Downstream raw materials:

3-ethyl-2-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]benzothiazolium iodide

1-(3-ethyl-3H-benzothiazol-2-ylidene)-propan-2-one

2-(2-ethoxy-propenyl)-3-ethyl-benzothiazolium; iodide

3-ethyl-2-[3-(3-ethyl-3H-2-benzothiazolylidene)-2-methyl-1-propenyl] benzothiazolium iodide

Refernces

• 1、 Gong, Yi?Jun,Feng, Dan?Dan,Liu, Wei?Ning,Fang, Jing?Kun,Feng, Suling. "A self-immolative near-infrared probe based on hemi-benzothiazolecyanine for visualizing hydrogen peroxide in living cells and mice". . . Retrieved 2021.
• 2、 Xu, Yongqian,Malkovskiy, Andrey,Wang, Qiuming,Pang, Yi. "Molecular assembly of a squaraine dye with cationic surfactant and nucleotides: Its impact on aggregation and fluorescence response". . p. 2878 - 2884. Retrieved 2011.
• 3、 Lovett, Wheeler R.,Al Hamd, Alaa,Casa, Stefanie,Henary, Maged. "Synthesis of pH-sensitive benzothiazole cyanine dye derivatives containing a pyridine moiety at the meso position". . . Retrieved 2021.
• 4、 El-Shishtawy, Reda M.,Almeida, Paulo. "A new Vilsmeier-type reaction for one-pot synthesis of pH sensitive fluorescent cyanine dyes". . p. 7793 - 7798. Retrieved 2006.
• 5、 Kang, Yongqiang,Wei, Chunying. "Highly selective turn-on red fluorescence probes for visualization of the G-quadruplexes DNA in living cells". . . Retrieved 2021/10/27.