1-Methyl-2-[(3-methyl-3H-benzothiazol-2-ylidene)methyl]quinolinium iodide

Base Information

• Chemical Name: 1-Methyl-2-[(3-methyl-3H-benzothiazol-2-ylidene)methyl]quinolinium iodide
• CAS No.: 16768-72-2
• Molecular Formula: C19H17 N2 S . I
• Molecular Weight: 432.328
• European Community (EC) Number: 240-825-5
• Mol file: 16768-72-2.mol

Synonyms:C19H17N2S.I;C19-H17-N2-S.I;1-METHYL-2-[(3-METHYL-3H-BENZOTHIAZOL-2-YLIDENE)METHYL]QUINOLINIUM IODIDE

Chemical Property of 1-Methyl-2-[(3-methyl-3H-benzothiazol-2-ylidene)methyl]quinolinium iodide

Chemical Property:

• PSA: 37.05000
• LogP: 0.33140
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 432.01572
• Heavy Atom Count: 23
• Complexity: 435

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2SC1=CC3=[N+](C4=CC=CC=C4C=C3)C.[I-]

Technology Process of 1-Methyl-2-[(3-methyl-3H-benzothiazol-2-ylidene)methyl]quinolinium iodide

There total 12 articles about 1-Methyl-2-[(3-methyl-3H-benzothiazol-2-ylidene)methyl]quinolinium 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: 30.7%

1-methylquinoline-2(1H)-thione (4800-27-5) + 2,3-dimethylbenzothiazolium iodide (2785-06-0) → 1-methyl-2-(3-methyl-3H-benzothiazol-2-ylidenemethyl)-quinolinium; iodide (16768-72-2)

Guidance literature:

With triethylamine; methyl p-toluene sulfonate; In ethanol; for 6h; Reagent/catalyst; Time; Reflux;

DOI:10.5012/bkcs.2013.34.2.489

Reference yield:

1,2,2-trimethyl-1,2-dihydroquinoline (16021-56-0) + 3-Methylbenzothiazolium 2-sulfonate (4329-95-7) → 1-methyl-2-(3-methyl-3H-benzothiazol-2-ylidenemethyl)-quinolinium; iodide (16768-72-2)

Guidance literature:

With sodium iodide; In ethanol; for 4h; Heating;

Reference yield:

1,2,2-trimethyl-1,2-dihydroquinoline (16021-56-0) + 3-Methylbenzothiazolium 2-sulfonate (4329-95-7) → 1-methyl-2-(3-methyl-3H-benzothiazol-2-ylidenemethyl)-quinolinium; iodide (16768-72-2) + bis-(3-methyl-benzothiazol-2-yl)-methinium; iodide (2783-72-4)

Guidance literature:

With sodium iodide; In ethanol; for 4h; Heating;

upstream raw materials:

2-methylquinoline

2-methylmercaptobenzothiazole

methyl p-toluene sulfonate

2-Cyan-1-methylchinoliniumiodid

Downstream raw materials:

bis-(3-methyl-benzothiazol-2-yl)-methinium; iodide

Refernces

• 1、 Fu,Zhang,Wang,Gao,Wang. "Efficient one-pot three-component synthesis of monomethine cyanine dyes with quinoline nucleus and their spectral properties". . p. 489 - 494. Retrieved 2013/08/25.