N,N'-Dioctylurea

Base Information

• Chemical Name: N,N'-Dioctylurea
• CAS No.: 1943-08-4
• Molecular Formula: C17H36N2O
• Molecular Weight: 284.486
• DSSTox Substance ID: DTXSID80173049
• Nikkaji Number: J1.098.143C
• Wikidata: Q83043153
• Mol file: 1943-08-4.mol

Synonyms:N,N'-Dioctylurea;1,3-dioctylurea;1943-08-4;di-n-octyl urea;SCHEMBL1276290;DTXSID80173049;NLCAUVFHXKUYMZ-UHFFFAOYSA-N

Chemical Property of N,N'-Dioctylurea

Chemical Property:

• Vapor Pressure: 1.85E-07mmHg at 25°C
• Boiling Point: 425.9°Cat760mmHg
• Flash Point: 124.5°C
• Density: 0.878g/cm³
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 284.282763776
• Heavy Atom Count: 20
• Complexity: 187

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCNC(=O)NCCCCCCCC

Technology Process of N,N'-Dioctylurea

There total 5 articles about N,N'-Dioctylurea 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: 95.0%

n-Octylamine (111-86-4) + carbon monoxide (201230-82-2) + bromomethyl phenyl sulfoxide (31268-20-9) → 1,3-dioctylurea (1943-08-4) + N-octyl-2-(phenylsulfinyl)acetamide (1403584-61-1)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; cesium fluoride; In tetrahydrofuran; at 65 ℃; under 760.051 Torr;

DOI:10.1021/jo301778n DOI:10.1021/jo301778n

Reference yield: 52.0%

n-Octylamine (111-86-4) + carbon monoxide (201230-82-2) + bromomethyl phenyl sulfoxide (31268-20-9) → 1,3-dioctylurea (1943-08-4) + racemic methyl phenyl sulfoxide (1193-82-4) + N-octyl-2-(phenylsulfinyl)acetamide (1403584-61-1)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; cesium fluoride; In tetrahydrofuran; at 65 ℃; under 760.051 Torr;

DOI:10.1021/jo301778n DOI:10.1021/jo301778n

Reference yield:

n-Octylamine (111-86-4) + limonene dicarbonate (1375952-47-8) → 1,3-dioctylurea (1943-08-4) + 4-(1,2-dihydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol (5581-31-7) + C11H18O5 + C19H37NO5 + C20H35NO6 + C28H54N2O6

Guidance literature:

In chloroform; for 96h; Reflux;

DOI:10.1021/acs.macromol.6b02460

upstream raw materials:

octyl-carbamic acid

n-Octylamine

benzonitrile

carbon monoxide

Downstream raw materials:

n-Octylamine

octylcarbamic acid octyl ester

Refernces

The influence of a medium on the rate of the reaction between N,N′-dioctylurea and n-octanol

10.1134/S0036024407010050

The study investigates the kinetics and mechanism of the alcoholysis of symmetrical dioctylurea in inert solvents, with n-octanol as the alcohol involved. The reaction follows two parallel pathways: one involving the dissociation of initial urea and the other, bimolecular interaction. The researchers used various solvents, including decane, phenetole, o-dichlorobenzene, benzonitrile, and nitrobenzene, to study the influence of solvent properties on the reaction rate. The reaction products were analyzed using proton NMR spectroscopy and photocolorimetry. The study found that the specific rate of the alcoholysis of N,N'-dioctylurea linearly depended on the initial concentration of octanol, indicating that the reaction proceeds via both dissociative and associative routes. The rate constants for these processes were determined and correlated with solvent properties using the Palm–Koppel equation.

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