3-ETHYL-2-[(1E,3E)-4-(3-((E,2E)-4-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]-2-BUTENYLIDENE)-2-METHYL-1-CYCLOHEXEN-1-YL)-1,3-BUTADIENYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE

Base Information

• Chemical Name: 3-ETHYL-2-[(1E,3E)-4-(3-((E,2E)-4-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]-2-BUTENYLIDENE)-2-METHYL-1-CYCLOHEXEN-1-YL)-1,3-BUTADIENYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE
• CAS No.: 115920-77-9
• Molecular Formula: C₃₃H₃₅N₂S₂*I
• Molecular Weight: 650.691
• Mol file: 115920-77-9.mol

Synonyms:Benzothiazolium,3-ethyl-2-[4-[3-[4-(3-ethyl-2(3H)-benzothiazolylidene)-2-butenylidene]-2-methyl-1-cyclohexen-1-yl]-1,3-butadienyl]-,iodide (9CI)

Chemical Property of 3-ETHYL-2-[(1E,3E)-4-(3-((E,2E)-4-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]-2-BUTENYLIDENE)-2-METHYL-1-CYCLOHEXEN-1-YL)-1,3-BUTADIENYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 65.29000
• Density: g/cm³
• LogP: 5.56300

Purity/Quality:

97% ^*data from raw suppliers

3-ETHYL-2-[(1E,3E)-4-(3-((E,2E)-4-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]-2-BUTENYLIDENE)-2-METHYL-1-CYCLOHEXEN-1-YL)-1,3-BUTADIENYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-ETHYL-2-[(1E,3E)-4-(3-((E,2E)-4-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]-2-BUTENYLIDENE)-2-METHYL-1-CYCLOHEXEN-1-YL)-1,3-BUTADIENYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE

There total 4 articles about 3-ETHYL-2-[(1E,3E)-4-(3-((E,2E)-4-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]-2-BUTENYLIDENE)-2-METHYL-1-CYCLOHEXEN-1-YL)-1,3-BUTADIENYL]-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: 78.0%

N-ethyl-2-methylbenzothiazolium iodide (3119-93-5) + <9-(N-methylanilino)-5-methyl-4,6-trimethylene-2,4,6,8-nonatetraenylidene>-N-methyl-N-phenylammonium chloride (115920-94-0) → 2-<11-(3-ethyl-2-benzothiazolinylidene)-6-methyl-5,7-trimethylene-1,3,5,7,9-undecapentaenyl>-3-ethylbenzothiazolium iodide (115920-77-9)

Guidance literature:

With sodium acetate; In ethanol;

Reference yield:

N-methylaniline hydrochloride (2739-12-0) → 2-<11-(3-ethyl-2-benzothiazolinylidene)-6-methyl-5,7-trimethylene-1,3,5,7,9-undecapentaenyl>-3-ethylbenzothiazolium iodide (115920-77-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 36 percent / conc. hydrochloric acid / aq. ethanol

2: 78 percent / sodium acetate / ethanol

With hydrogenchloride; sodium acetate; In ethanol;

Reference yield:

1,1,3,7,9-pentaethoxy-5-methyl-4,6-trimethylene-4,8-nonadiene (115920-91-7) → 2-<11-(3-ethyl-2-benzothiazolinylidene)-6-methyl-5,7-trimethylene-1,3,5,7,9-undecapentaenyl>-3-ethylbenzothiazolium iodide (115920-77-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 36 percent / conc. hydrochloric acid / aq. ethanol

2: 78 percent / sodium acetate / ethanol

With hydrogenchloride; sodium acetate; In ethanol;

upstream raw materials:

N-ethyl-2-methylbenzothiazolium iodide

<9-(N-methylanilino)-5-methyl-4,6-trimethylene-2,4,6,8-nonatetraenylidene>-N-methyl-N-phenylammonium chloride

N-methylaniline hydrochloride

1,1,3,7,9-pentaethoxy-5-methyl-4,6-trimethylene-4,8-nonadiene

Refernces