(2Z,6E)-2,6-dibenzylidenecyclohexanone

Base Information

• Chemical Name: (2Z,6E)-2,6-dibenzylidenecyclohexanone
• CAS No.: 897-78-9
• Molecular Formula: C20H18 O
• Molecular Weight: 274.362
• Hs Code.: 29143900
• European Community (EC) Number: 212-981-4
• DSSTox Substance ID: DTXSID101254336
• Mol file: 897-78-9.mol

Synonyms:2,6-B(B)CH cpd;2,6-bis(benzylidene)cyclohexanone

Chemical Property of (2Z,6E)-2,6-dibenzylidenecyclohexanone

Chemical Property:

• Appearance/Colour: yellow to orange crystalline powder and chunks
• Vapor Pressure: 5.58E-09mmHg at 25°C
• Melting Point: 118-119 °C
• Refractive Index: 1.6700 (estimate)
• Boiling Point: 469.3°C at 760 mmHg
• Flash Point: 207.5°C
• PSA: 17.07000
• Density: 1.15g/cm³
• LogP: 4.90660
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 274.135765193
• Heavy Atom Count: 21
• Complexity: 379

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,3-Dibenzylidene-2-cyclohexanone >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (2Z,6E)-2,6-dibenzylidenecyclohexanone

There total 57 articles about (2Z,6E)-2,6-dibenzylidenecyclohexanone 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) + benzaldehyde (100-52-7) → 2,6-bis(phenylmethylene)cyclohexanone (897-78-9)

Guidance literature:

With sulfated TiO₂-P₂₅ (Degussa titania); for 0.0333333h; Microwave irradiation; Neat (no solvent);

DOI:10.1016/j.molcata.2011.08.026

Reference yield: 82.0%

benzaldehyde (100-52-7) + cyclohexanol (108-93-0) → 2,6-bis(phenylmethylene)cyclohexanone (897-78-9)

Guidance literature:

With Wilkinson's catalyst; boron trifluoride diethyl etherate; In toluene; at 30 - 80 ℃; Inert atmosphere;

DOI:10.1016/j.tetlet.2009.05.006

Reference yield: 80.0%

2,6-dibromocyclohexanone (34006-70-7) + benzaldehyde (100-52-7) → 2,6-bis(phenylmethylene)cyclohexanone (897-78-9)

Guidance literature:

With aluminum oxide; zirconium(IV) chloride; microwave irradiation;

upstream raw materials:

ethanol

2,6-bis(hydroxy(phenyl)methyl)cyclohexanone

sodium ethanolate

cyclohexanone

Downstream raw materials:

acetic acid-(2,6-dibenzyl-phenyl ester)

cis-2,6-bis(phenylmethyl)cyclohexanone

trans-1.3-Dibenzyl-cyclohexanon-⁽²⁾

2,6-dibromo-2,6-bis-(α-bromo-benzyl)-cyclohexanone