(2E,6E)-2,6-Bis(2,4-dichlorobenzylidene)cyclohexanone

Base Information

• Chemical Name: (2E,6E)-2,6-Bis(2,4-dichlorobenzylidene)cyclohexanone
• CAS No.: 18989-83-8
• Molecular Formula: C₂₀H₁₄Cl₄O
• Molecular Weight: 412.143
• European Community (EC) Number: 660-074-0
• NSC Number: 148599
• Nikkaji Number: J1.465.388K,J2.131.575C
• ChEMBL ID: CHEMBL1093526
• Mol file: 18989-83-8.mol

Synonyms:(2E,6E)-2,6-Bis(2,4-dichlorobenzylidene)cyclohexanone;2,6-bis(2,4-dichlorobenzylidene)cyclohexanone;NSC148599;CHEMBL1093526;STK795434;AKOS001011953;NSC-148599;2,6-Bis[(E)-2,4-dichlorobenzylidene]cyclohexanone;18989-83-8

Chemical Property of (2E,6E)-2,6-Bis(2,4-dichlorobenzylidene)cyclohexanone

Chemical Property:

• Vapor Pressure: 2.45E-13mmHg at 25°C
• Melting Point: 161.3 - 162.2 °C (ethanol)
• Boiling Point: 577.5°Cat760mmHg
• Flash Point: 238.8°C
• PSA: 17.07000
• Density: 1.439g/cm³
• LogP: 7.52020
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 411.976926
• Heavy Atom Count: 25
• Complexity: 510

Purity/Quality:

99% ^*data from raw suppliers

(2E,6Z)-2,6-BIS[(2,4-DICHLOROPHENYL)METHYLIDENE]CYCLOHEXAN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=CC2=C(C=C(C=C2)Cl)Cl)C(=O)C(=CC3=C(C=C(C=C3)Cl)Cl)C1
• Isomeric SMILES: C1C/C(=C\C2=C(C=C(C=C2)Cl)Cl)/C(=O)/C(=C/C3=C(C=C(C=C3)Cl)Cl)/C1

Technology Process of (2E,6E)-2,6-Bis(2,4-dichlorobenzylidene)cyclohexanone

There total 2 articles about (2E,6E)-2,6-Bis(2,4-dichlorobenzylidene)cyclohexanone 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: 98.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + 2,4-dichlorobenzaldeyhde (874-42-0) → α,α'-bis(2,4-dichlorobenzylidene)cyclohehanone (59401-42-2,18989-83-8)

Guidance literature:

With silica gel; In ethanol; for 2.5h; Heating;

Reference yield:

→ α,α'-bis(2,4-dichlorobenzylidene)cyclohehanone (59401-42-2,18989-83-8)

Guidance literature:

Cyclohexanon, /BRN= 471601/ / NaOH;

Reference yield:

α,α'-bis(2,4-dichlorobenzylidene)cyclohehanone (59401-42-2,18989-83-8) + acetic acid (64-19-7,77671-22-8) → (E)-1-(7-(2,4-dichlorobenzylidene)-3-(2,4-dichlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)ethanone (1428653-73-9)

Guidance literature:

With hydrazine hydrate; for 12h; Reflux;

DOI:10.2174/157018013804725161

upstream raw materials:

cyclohexanone

2,4-dichlorobenzaldeyhde

Downstream raw materials:

(E)-1-(7-(2,4-dichlorobenzylidene)-3-(2,4-dichlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)ethanone

(E)-7-(2,4-dichlorobenzylidene)-3-(2,4-dichlorophenyl)-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazole

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