2,8-Dibenzylidenecyclooctanone

Base Information

• Chemical Name: 2,8-Dibenzylidenecyclooctanone
• CAS No.: 21856-74-6
• Molecular Formula: C22H22 O
• Molecular Weight: 0
• Hs Code.: 2914399090
• Nikkaji Number: J715.132B
• Mol file: 21856-74-6.mol

Synonyms:2,8-Dibenzylidenecyclooctanone;21856-74-6;Cyclooctanone, 2,8-bis(phenylmethylene)-

Chemical Property of 2,8-Dibenzylidenecyclooctanone

Chemical Property:

• Vapor Pressure: 6.88E-10mmHg at 25°C
• Boiling Point: 493.7°Cat760mmHg
• Flash Point: 216.7°C
• PSA: 17.07000
• Density: 1.103g/cm³
• LogP: 5.68680
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 302.167065321
• Heavy Atom Count: 23
• Complexity: 405

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,8-Dibenzylidenecyclooctanone

There total 4 articles about 2,8-Dibenzylidenecyclooctanone 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) + benzaldehyde (100-52-7) → 2,8-dibenzylidenecyclooctanone (21856-74-6)

Guidance literature:

With piperidine; pyridine; for 4h; Heating;

DOI:10.1021/je00024a037

Reference yield:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 2,8-dibenzylidenecyclooctanone (21856-74-6)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol

2: sodium methylate

With methanol; sodium methylate;

DOI:10.1021/ja01371a070

Reference yield:

cycloactanone (502-49-8) + benzaldehyde (100-52-7) → 2,8-dibenzylidenecyclooctanone (21856-74-6) + 2-benzylidene-cyclooctanone (69202-72-8,42063-03-6)

Guidance literature:

With iron(III) 1,3,5-benzenetricarboxylate; In toluene; at 110 ℃; for 24h;

DOI:10.1002/adsc.200900747

upstream raw materials:

cycloactanone

benzaldehyde

cyclohexanone

Downstream raw materials:

cis-2,8-Dibenzylcyclooctanon

trans-2,8-Dibenzylcyclooctanon

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

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