2,6-Bis(4-fluorobenzylidene)cyclohexanone

Base Information

• Chemical Name: 2,6-Bis(4-fluorobenzylidene)cyclohexanone
• CAS No.: 395-12-0
• Molecular Formula: C₂₀H₁₆F₂O
• Molecular Weight: 310.343
• NSC Number: 632830,10828
• Nikkaji Number: J598.219G,J2.301.891H
• Pharos Ligand ID: DZGWHTBS1D99
• ChEMBL ID: CHEMBL477256

Synonyms:2,6-Bis(4-fluorobenzylidene)cyclohexanone;62085-74-9;(2E,6E)-2,6-bis[(4-fluorophenyl)methylidene]cyclohexan-1-one;CHEMBL477256;(2E,6E)-2,6-bis(4-fluorobenzylidene)cyclohexanone;2,6-Bis(4-fluorobenzal)cyclohexanone;395-12-0;NSC632830;2,6-bis-(4-Fluorobenzylidene)cyclohexanone;NSC10828;BDBM50437199;MFCD00112608;NSC-10828;STK299967;AKOS001030473;NSC-632830;B2282;2,6-Bis[(E)-4-fluorobenzylidene]cyclohexanone;6R-0035;2,6-bis[(E)-(4-fluorophenyl)methylidene]cyclohexanone

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

Chemical Property:

• Boiling Point: 466.9°Cat760mmHg
• Flash Point: 175.7°C
• Density: 1.256g/cm³
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 310.11692145
• Heavy Atom Count: 23
• Complexity: 436

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 2 articles about 2,6-Bis(4-fluorobenzylidene)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: 95.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + 4-fluorobenzaldehyde (459-57-4) → (2E,6E)-2,6-bis(4-fluorobenzylidene)cyclohexanone (395-12-0,62085-74-9)

Guidance literature:

With nano titania supported sulfonic acid; In neat (no solvent); at 90 ℃; for 0.283333h; Green chemistry;

DOI:10.101.6/j.arabjc.2011.06.001

Reference yield:

→ (2E,6E)-2,6-bis(4-fluorobenzylidene)cyclohexanone (395-12-0,62085-74-9)

Guidance literature:

/BRN= 385857/, /BRN= 385735/, EtOH;

DOI:10.1021/jo00434a010

Reference yield: 99.0%

(2E,6E)-2,6-bis(4-fluorobenzylidene)cyclohexanone (395-12-0,62085-74-9) + malononitrile (109-77-3) → 2-amino-4-(4-fluorophenyl)-8-[(E)-(4-fluorophenyl)-methylidene]-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (1313510-64-3)

Guidance literature:

With sodium ethanolate; at 20 ℃; Neat (no solvent); Grinding;

DOI:10.1016/j.bmc.2011.04.033

upstream raw materials:

cyclohexanone

4-fluorobenzaldehyde

Downstream raw materials:

2-[(4-Fluoro-phenyl)-hydroxyamino-methyl]-6-[1-(4-fluoro-phenyl)-meth-(E)-ylidene]-cyclohexanone oxime

4-(4-fluorophenyl)-8-[(E)-(4-fluorophenyl)-methylidene]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-5,6,7,8-tetrahydro-4H-chromen-2-ylamine

2-amino-4-(4-fluorophenyl)-8-[(E)-(4-fluorophenyl)-methylidene]-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

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