3-Ethyl-2-(2-{3-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-2-methylcyclohex-1-en-1-yl}ethenyl)-1,3-benzothiazol-3-ium iodide

Base Information

Chemical Name:3-Ethyl-2-(2-{3-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-2-methylcyclohex-1-en-1-yl}ethenyl)-1,3-benzothiazol-3-ium iodide
CAS No.:70446-37-6
Molecular Formula:C₂₉H₃₁N₂S₂*I
Molecular Weight:598.615
Hs Code.:
DSSTox Substance ID:DTXSID20698928
Mol file:70446-37-6.mol

3-Ethyl-2-(2-{3-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-2-methylcyclohex-1-en-1-yl}ethenyl)-1,3-benzothiazol-3-ium iodide

Synonyms:70446-37-6;DTXSID20698928;AKOS000814207;3-Ethyl-2-(2-{3-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-2-methylcyclohex-1-en-1-yl}ethenyl)-1,3-benzothiazol-3-ium iodide;3-ETHYL-2-[(E)-2-(3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-2-METHYL-1-CYCLOHEXEN-1-YL)ETHENYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE

Suppliers and Price of 3-Ethyl-2-(2-{3-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-2-methylcyclohex-1-en-1-yl}ethenyl)-1,3-benzothiazol-3-ium iodide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
3-ETHYL-2-[(E)-2-(3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-2-METHYL-1-CYCLOHEXEN-1-YL)ETHENYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE 95.00%
5MG
$ 500.08

Total 1 raw suppliers

Chemical Property of 3-Ethyl-2-(2-{3-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-2-methylcyclohex-1-en-1-yl}ethenyl)-1,3-benzothiazol-3-ium iodide

Chemical Property:

PSA：65.29000
LogP:4.45060
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:598.09734
Heavy Atom Count:34
Complexity:763

Purity/Quality:

96% ^*data from raw suppliers

3-ETHYL-2-[(E)-2-(3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-2-METHYL-1-CYCLOHEXEN-1-YL)ETHENYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCN1C2=CC=CC=C2SC1=CC=C3CCCC(=C3C)C=CC4=[N+](C5=CC=CC=C5S4)CC.[I-]
Isomeric SMILES:CCN\1C2=CC=CC=C2S/C1=C\C=C\3/CCCC(=C3C)/C=C/C4=[N+](C5=CC=CC=C5S4)CC.[I-]

Technology Process of 3-Ethyl-2-(2-{3-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-2-methylcyclohex-1-en-1-yl}ethenyl)-1,3-benzothiazol-3-ium iodide

There total 3 articles about 3-Ethyl-2-(2-{3-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-2-methylcyclohex-1-en-1-yl}ethenyl)-1,3-benzothiazol-3-ium 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: 89.0%

: C₉H₁₂O₂

: 3119-93-5
N-ethyl-2-methylbenzothiazolium iodide

: 70446-37-6
3-ethyl-2-(2-{3-[2-(3-ethyl-3H-benzothiazol-2-ylidene)-ethylidene]-2-methyl-cyclohex-1-enyl}-vinyl)-benzothiazolium; iodide

Guidance literature:: With sodium acetate; acetic anhydride; at 130 ℃; for 1h; Inert atmosphere;
DOI:10.7150/thno.30080

Reference yield:

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 70446-37-6
3-ethyl-2-(2-{3-[2-(3-ethyl-3H-benzothiazol-2-ylidene)-ethylidene]-2-methyl-cyclohex-1-enyl}-vinyl)-benzothiazolium; iodide

Guidance literature:: Multi-step reaction with 2 steps

1.1: trichlorophosphate / 0.5 h / 0 - 20 °C / Inert atmosphere

1.2: 2 h / 80 °C / Inert atmosphere

2.1: sodium acetate; acetic anhydride / 1 h / 130 °C / Inert atmosphere

With sodium acetate; acetic anhydride; trichlorophosphate;
DOI:10.7150/thno.30080