2-[(Dimethylamino)methylidene]-6-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]cyclohexan-1-one

Base Information

• Chemical Name: 2-[(Dimethylamino)methylidene]-6-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]cyclohexan-1-one
• CAS No.: 88340-50-5
• Molecular Formula: C₂₀H₂₄N₂OS
• Molecular Weight: 340.489
• DSSTox Substance ID: DTXSID20699430
• Mol file: 88340-50-5.mol

Synonyms:88340-50-5;DTXSID20699430;2-[(Dimethylamino)methylidene]-6-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]cyclohexan-1-one

Chemical Property of 2-[(Dimethylamino)methylidene]-6-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]cyclohexan-1-one

Chemical Property:

• Vapor Pressure: 2.39E-09mmHg at 25°C
• Refractive Index: 1.753
• Boiling Point: 479.3°C at 760 mmHg
• Flash Point: 243.7°C
• PSA: 53.48000
• Density: 1.292g/cm³
• LogP: 3.90920
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 340.16093457
• Heavy Atom Count: 24
• Complexity: 576

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=CC=CC=C2SC1=CC=C3CCCC(=CN(C)C)C3=O

Technology Process of 2-[(Dimethylamino)methylidene]-6-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]cyclohexan-1-one

There total 2 articles about 2-[(Dimethylamino)methylidene]-6-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]cyclohexan-1-one 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: 71.0%

2-(dimethylaminomethylene)cyclohexane-1-one (28467-36-9) + 2-dimethylaminovinyl-3-ethylbenzothiazolium iodide (17579-01-0) → 2-[1-Dimethylamino-meth-(E)-ylidene]-6-[2-[3-ethyl-3H-benzothiazol-(2Z)-ylidene]-eth-(E)-ylidene]-cyclohexanone (88340-50-5)

Guidance literature:

With pyridine; sodium methylate; In methanol; Heating;

Reference yield:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 2-[1-Dimethylamino-meth-(E)-ylidene]-6-[2-[3-ethyl-3H-benzothiazol-(2Z)-ylidene]-eth-(E)-ylidene]-cyclohexanone (88340-50-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 74 percent / 1,5-diazabicyclo<4.3.0>nonene / xylene / Heating

2: 71 percent / pyridine, CH₃ONa / methanol / Heating

With pyridine; DBN; sodium methylate; In methanol; xylene;

Reference yield: 34.0%

2-[1-Dimethylamino-meth-(E)-ylidene]-6-[2-[3-ethyl-3H-benzothiazol-(2Z)-ylidene]-eth-(E)-ylidene]-cyclohexanone (88340-50-5) + dimethyl sulfate (77-78-1) → 2-((E)-2-{3-[1-Dimethylamino-meth-(E)-ylidene]-2-methoxy-cyclohex-1-enyl}-vinyl)-3-ethyl-benzothiazol-3-ium; perchlorate

Guidance literature:

In chloroform; Heating;

upstream raw materials:

2-(dimethylaminomethylene)cyclohexane-1-one

2-dimethylaminovinyl-3-ethylbenzothiazolium iodide

cyclohexanone