2,6-Bis(4-nitrobenzylidene)cyclohexanone

Base Information

• Chemical Name: 2,6-Bis(4-nitrobenzylidene)cyclohexanone
• CAS No.: 10321-25-2
• Molecular Formula: C20H16 N2 O5
• Molecular Weight: 364.357
• NSC Number: 54918
• Nikkaji Number: J1.728.264F,J982.525H
• ChEMBL ID: CHEMBL473087
• Mol file: 10321-25-2.mol

Synonyms:2,6-Bis(4-nitrobenzylidene)cyclohexanone;NSC54918;CHEMBL473087;IBFHBKDCSZGUSP-UNZYHPAISA-N;NSC-54918;AKOS003598575;10321-25-2;Cyclohexanone, 2,6-bis(4-nitrobenzylidene)-;2,6-Bis[(E)-4-nitrobenzylidene]cyclohexanone;(2E,6E)-2,6-Bis(4-nitrobenzylidene)cyclohexanone #

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

Chemical Property:

• Vapor Pressure: 1.74E-12mmHg at 25°C
• Boiling Point: 558°Cat760mmHg
• Flash Point: 262.6°C
• PSA: 108.71000
• Density: 1.389g/cm³
• LogP: 5.76940
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 364.10592162
• Heavy Atom Count: 27
• Complexity: 588

Purity/Quality:

85.0-99.8% ^*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)[N+](=O)[O-])C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])C1
• Isomeric SMILES: C1C/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/C1

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

There total 8 articles about 2,6-Bis(4-nitrobenzylidene)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) + 4-nitrobenzaldehdye (555-16-8) → 2,6-di(p-nitrobenzylidene)cyclohexanone (10321-25-2)

Guidance literature:

With indium(III) chloride; chloro-trimethyl-silane; 1-butyl-3-methylimidazolium Tetrafluoroborate; at 100 ℃; for 5h;

Reference yield: 97.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + 4-nitrobenzaldehdye (555-16-8) → (2E,6E)-2,6-bis[(4-nitrophenyl)methylene]cyclohexanone (10321-25-2)

Guidance literature:

With trichloro(trifluoromethanesulfonato)titanium(IV); In dichloromethane; at 20 ℃; for 1.5h;

DOI:10.1039/a809827a

Reference yield: 74.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + 4-nitrobenzaldehdye (555-16-8) → (2E,6E)-2,6-bis[(4-nitrophenyl)methylene]cyclohexanone (10321-25-2) + (E)-2-[(4-nitrophenyl)methylene]cyclohexanone (22114-45-0,56005-41-5)

Guidance literature:

With bovine serum albumin; In ethanol; at 45 ℃; for 96h; Kinetics;

DOI:10.1016/j.procbio.2019.08.003

upstream raw materials:

cyclohexanone

4-nitrobenzaldehdye

1-(Trimethylsilyloxy)cyclohexene

cyclohexanethione

Downstream raw materials:

(E,E)-2,6-bis(4-nitrobenzylidene)cyclohexanone

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