1-Ethyl-4-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)quinolinium iodide

Base Information

• Chemical Name: 1-Ethyl-4-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)quinolinium iodide
• CAS No.: 15941-82-9
• Deprecated CAS: 57282-58-3
• Molecular Formula: C21H21 N2 S . I
• Molecular Weight: 460.382
• European Community (EC) Number: 240-075-9
• DSSTox Substance ID: DTXSID40936096
• Mol file: 15941-82-9.mol

Synonyms:1,3'-diethyl-4,2'-quinolylthiacyanine iodide;1-ethyl-4-((3-ethyl-2(3H)-benzothiazolylidene)methyl)quinolinium iodide;cyanine dye 7;DEQTC

Chemical Property of 1-Ethyl-4-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)quinolinium iodide

Chemical Property:

• Melting Point: 272-274 °C(lit.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 37.05000
• Density: g/cm³
• LogP: 1.29720
• Solubility.: DMF: soluble
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 460.04702
• Heavy Atom Count: 25
• Complexity: 463

Purity/Quality:

98%min ^*data from raw suppliers

1,3'-DIETHYL-4,2'-QUINOLYLTHIACYANINEIODIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=CC=CC=C2SC1=CC3=CC=[N+](C4=CC=CC=C34)CC.[I-]
• Isomeric SMILES: CCN\1C2=CC=CC=C2S/C1=C\C3=CC=[N+](C4=CC=CC=C34)CC.[I-]

Technology Process of 1-Ethyl-4-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)quinolinium iodide

There total 6 articles about 1-Ethyl-4-((3-ethyl-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:

→ (3-ethyl-benzothiazol-2-yl)-(1-ethyl-[4]quinolyl)-methinium ; iodide (15941-82-9,57282-58-3)

Guidance literature:

With sodium hydroxide;

Reference yield:

2-thioxo-3H-1,3-benzothiazole (149-30-4,81605-65-4) → (3-ethyl-benzothiazol-2-yl)-(1-ethyl-[4]quinolyl)-methinium ; iodide (15941-82-9,57282-58-3)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous NaOH

2: pyridine / Behandeln des Reaktionsgemisches mit wss. KI

With pyridine; sodium hydroxide;

DOI:10.1039/jr9490001503

Reference yield:

quinoline-4-carbonitrile (2973-27-5) → (3-ethyl-benzothiazol-2-yl)-(1-ethyl-[4]quinolyl)-methinium ; iodide (15941-82-9,57282-58-3)

Guidance literature:

Multi-step reaction with 2 steps

2: K₂CO₃; ethanol

With ethanol; potassium carbonate;

DOI:10.1039/jr9390001008

upstream raw materials:

C₆H₄NCH₂CHCCH₂

2-methylmercaptobenzothiazole

ethyl ester of p-toluenesulfonic acid

N-ethyl-2-methylbenzothiazolium iodide