1,3-Didecylbenzene

Base Information

• Chemical Name: 1,3-Didecylbenzene
• CAS No.: 55191-38-3
• Molecular Formula: C26H46
• Molecular Weight: 358.651
• Hs Code.: 2902909090
• NSC Number: 123365
• DSSTox Substance ID: DTXSID10298471
• Nikkaji Number: J129.543H
• Wikidata: Q82040301
• Mol file: 55191-38-3.mol

Synonyms:1,3-Di-n-decylbenzene;55191-38-3;1,3-Didecylbenzene;1,3-didecyl-benzene;Benzene, 1,3-didecyl-;Benzene,3-didecyl-;NSC123365;1,3-Didecylbenzene #;DTXSID10298471;AUCYVPAWNAGPDL-UHFFFAOYSA-N;NSC-123365

Chemical Property of 1,3-Didecylbenzene

Chemical Property:

• Vapor Pressure: 7.62E-08mmHg at 25°C
• Boiling Point: 449.4°C at 760 mmHg
• Flash Point: 225.9°C
• PSA: 0.00000
• Density: 0.855g/cm³
• LogP: 9.05300
• XLogP3: 12.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 18
• Exact Mass: 358.359951467
• Heavy Atom Count: 26
• Complexity: 243

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC1=CC(=CC=C1)CCCCCCCCCC

Technology Process of 1,3-Didecylbenzene

There total 4 articles about 1,3-Didecylbenzene 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: 52.0%

decyl magnesium (1+); iodide + 1,3-Dimethoxybenzene (151-10-0) → 1-decyl-3-methoxybenzene + 1,3-didecylbenzene (55191-38-3)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel⁽⁰⁾; 1,2-bis-(dicyclohexylphosphino)ethane; In toluene; at 100 ℃; for 14h; Inert atmosphere; Glovebox; Sealed tube;

DOI:10.1021/jacs.6b03253

Reference yield:

1-dodecyne (765-03-7) + bicyclo[2.2.1]hepta-2,5-diene (121-46-0) → bi(cyclopentadiene) (77-73-6,933-60-8,1755-01-7,25038-78-2) + 1,3-didecylbenzene (55191-38-3) + (1S,2R,5R,6R)-3-Decyl-tricyclo[4.2.1.02,5]non-3-ene

Guidance literature:

chloro(1,5-cyclooctadiene)(pentamethylcyclopentadiene)ruthenium(II); at 80 ℃; for 40h;

Reference yield:

decylbenzene (104-72-3) → 1,3-didecylbenzene (55191-38-3)

Guidance literature:

With aluminum tri-bromide; at 0 ℃; Einleiten von Bromwasserstoff;

DOI:10.1021/jo01105a012

upstream raw materials:

decylbenzene

1-dodecyne

bicyclo[2.2.1]hepta-2,5-diene

1,3-Dimethoxybenzene

Downstream raw materials:

1,3-didecyl-cyclohexane

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