Docosylbenzene

Base Information

• Chemical Name: Docosylbenzene
• CAS No.: 5634-22-0
• Molecular Formula: C29H27N3O4S
• Molecular Weight: 513.6074
• European Community (EC) Number: 272-472-8
• DSSTox Substance ID: DTXSID30874019
• Nikkaji Number: J141.242F
• Wikidata: Q81981390
• Mol file: 5634-22-0.mol

Synonyms:docosylbenzene;Therminol 55;68855-24-3;EINECS 272-472-8;5634-22-0;Benzene, docosyl-;N-BENZYL-4-METHYL-N-[2-[[[(1E)-1-(6-OXO-1-CYCLOHEXA-2,4-DIENYLIDENE)ETHYL]AMINO]CARBAMOYL]PHENYL]BENZENESULFONAMIDE;DTXSID30874019

Chemical Property of Docosylbenzene

Chemical Property:

• Melting Point: 51°C
• Refractive Index: 1.4818 (estimate)
• Boiling Point: 447.83°C (estimate)
• Density: 1.306g/cm³
• XLogP3: 14.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 21
• Exact Mass: 386.391251595
• Heavy Atom Count: 28
• Complexity: 276

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: UVCB
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCC1=CC=CC=C1

Technology Process of Docosylbenzene

There total 4 articles about Docosylbenzene 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:

docosanophenone (5667-66-3) → docosanylbenzene (5634-22-0)

Guidance literature:

With hydrogenchloride; amalgamated zinc; xylene; Einleiten von HCl;

DOI:10.1021/jo01206a001

Reference yield:

docosanoyl chloride (21132-76-3) → docosanylbenzene (5634-22-0)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃ / 0 °C

2: amalgamated zinc; concentrated aqueous HCl; xylene / Einleiten von HCl

With hydrogenchloride; aluminium trichloride; amalgamated zinc; xylene;

DOI:10.1021/jo01206a001

Reference yield:

benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → docosanylbenzene (5634-22-0)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃ / 0 °C

2: amalgamated zinc; concentrated aqueous HCl; xylene / Einleiten von HCl

With hydrogenchloride; aluminium trichloride; amalgamated zinc; xylene;

DOI:10.1021/jo01206a001

upstream raw materials:

docosanophenone

benzaldehyde

docosanoyl chloride

benzene

Downstream raw materials:

1-cyclohexyldocosane