2,8-Bis(2-chlorobenzylidene)cyclooctanone

Base Information

• Chemical Name: 2,8-Bis(2-chlorobenzylidene)cyclooctanone
• CAS No.: 52230-56-5
• Molecular Formula: C22H20Cl2O
• Molecular Weight: 371.2996
• Mol file: 52230-56-5.mol

Synonyms:2,8-Bis(2-chlorobenzylidene)cyclooctanone;2,8-Bis((2-chlorophenyl)methylene)cyclooctanone;Cyclooctanone, 2,8-bis((2-chlorophenyl)methylene)-;52230-56-5;C22H20Cl2O

Chemical Property of 2,8-Bis(2-chlorobenzylidene)cyclooctanone

Chemical Property:

• Vapor Pressure: 5.94E-12mmHg at 25°C
• Boiling Point: 545.4°Cat760mmHg
• Flash Point: 226.8°C
• Density: 1.246g/cm³
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 370.0891206
• Heavy Atom Count: 25
• Complexity: 478

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=CC2=CC=CC=C2Cl)C(=O)C(=CC3=CC=CC=C3Cl)CC1
• Isomeric SMILES: C1CC/C(=C\C2=CC=CC=C2Cl)/C(=O)/C(=C/C3=CC=CC=C3Cl)/CC1

Technology Process of 2,8-Bis(2-chlorobenzylidene)cyclooctanone

There total 1 articles about 2,8-Bis(2-chlorobenzylidene)cyclooctanone 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: 75.0%

cycloactanone (502-49-8) + 2-chloro-benzaldehyde (89-98-5) → 2,8-Bis-(2-chlor-benzyliden)-cyclooctanon (52230-56-5)

Guidance literature:

With piperidine; pyridine; for 4h; Heating;

DOI:10.1021/je00024a037

Reference yield: 79.0%

2,8-Bis-(2-chlor-benzyliden)-cyclooctanon (52230-56-5) + thiourea (17356-08-0) → 4-(2-Chloro-phenyl)-10-[1-(2-chloro-phenyl)-meth-(E)-ylidene]-3,4,5,6,7,8,9,10-octahydro-1H-cyclooctapyrimidine-2-thione (77109-61-6)

Guidance literature:

With potassium hydroxide; In ethanol; for 3h; Heating;

DOI:10.1021/je00024a037

Reference yield:

2,8-Bis-(2-chlor-benzyliden)-cyclooctanon (52230-56-5) → 2,8-Bis-(2-chlor-benzyl)-cyclooctanon (52186-10-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate;

DOI:10.1021/jm00248a002

upstream raw materials:

cycloactanone

2-chloro-benzaldehyde

Downstream raw materials:

2,8-Bis-(2-chlor-benzyl)-cyclooctanon

4-(2-Chloro-phenyl)-10-[1-(2-chloro-phenyl)-meth-(E)-ylidene]-3,4,5,6,7,8,9,10-octahydro-1H-cyclooctapyrimidine-2-thione

4-(2-Chloro-phenyl)-10-[1-(2-chloro-phenyl)-meth-(E)-ylidene]-5,6,7,8,9,10-hexahydro-4H-1-thia-3a,11-diaza-cycloocta[f]inden-3-one

5-(2-Chloro-phenyl)-11-[1-(2-chloro-phenyl)-meth-(E)-ylidene]-2,3,6,7,8,9,10,11-octahydro-5H-1-thia-4a,12-diaza-cycloocta[b]naphthalen-4-one

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