Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2-benzothiazolinylidene)propenyl]-, bromide

Base Information

• Chemical Name: Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2-benzothiazolinylidene)propenyl]-, bromide
• CAS No.: 17389-14-9
• Molecular Formula: C21H21 N2 S2 . Br
• Molecular Weight: 445.447
• Mol file: 17389-14-9.mol

Synonyms:Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2-benzothiazolinylidene)propenyl]-, bromide;3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;bromide

Chemical Property of Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2-benzothiazolinylidene)propenyl]-, bromide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 65.29000
• Density: g/cm³
• LogP: 2.02380
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 444.03295
• Heavy Atom Count: 26
• Complexity: 474

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=CC=CC=C4S3)CC.[Br-]
• Isomeric SMILES: CCN\1C2=CC=CC=C2S/C1=C\C=C\C3=[N+](C4=CC=CC=C4S3)CC.[Br-]

Technology Process of Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2-benzothiazolinylidene)propenyl]-, bromide

There total 1 articles about Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2-benzothiazolinylidene)propenyl]-, bromide 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-2-bromomethyl-benzothiazolium; bromide (68277-83-8) + orthoformic acid triethyl ester (122-51-0) → 1,3-bis-(3-ethyl-benzothiazol-2-yl)-trimethinium; bromide (17389-14-9)

Guidance literature:

In acetic anhydride; Heating;

upstream raw materials:

3-ethyl-2-bromomethyl-benzothiazolium; bromide

orthoformic acid triethyl ester