1-n-Octadecylpyrrole

Base Information

• Chemical Name: 1-n-Octadecylpyrrole
• CAS No.: 89601-24-1
• Molecular Formula: C₂₂H₄₁N
• Molecular Weight: 319.574
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90597393
• Nikkaji Number: J261.077I
• Wikidata: Q82492933
• Mol file: 89601-24-1.mol

Synonyms:1-n-octadecylpyrrole;89601-24-1;1-Octadecylpyrrole;1-octadecyl-1H-pyrrole;LCZC2830;SCHEMBL4736062;DTXSID90597393;MFCD00144990;AKOS015839793;SB62689;O0219;T73048;A917163

Chemical Property of 1-n-Octadecylpyrrole

Chemical Property:

• Vapor Pressure: 4.85E-06mmHg at 25°C
• Melting Point: 39 °C
• Refractive Index: 1.483
• Boiling Point: 182 °C / 1mmHg
• PKA: -2.86±0.70(Predicted)
• Flash Point: 191.7°C
• PSA: 4.93000
• Density: 0.86g/cm³
• LogP: 7.74960
• XLogP3: 9.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 17
• Exact Mass: 319.323900312
• Heavy Atom Count: 23
• Complexity: 220

Purity/Quality:

97% ^*data from raw suppliers

1-Octadecylpyrrole >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCN1C=CC=C1

Technology Process of 1-n-Octadecylpyrrole

There total 3 articles about 1-n-Octadecylpyrrole 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: 90.0%

pyrrole (109-97-7,30604-81-0) + 1-Bromooctadecane (112-89-0) → 1-n-octadecylpyrrole (89601-24-1)

Guidance literature:

With dibenzo-18-crown-6; potassium tert-butylate; In toluene; for 12h; Heating;

DOI:10.1039/a604111f

Reference yield: 82.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + 1-aminooctadecane (124-30-1) → 1-n-octadecylpyrrole (89601-24-1)

Guidance literature:

1-aminooctadecane; With sodium acetate; tetraheptylammonium bromide; acetic acid; In water; toluene; for 0.0833333h; Reflux;

cis,trans-2,5-dimethoxytetrahydrofuran; In water; toluene; for 6.25h; Reflux;

DOI:10.1002/pssa.201800030

Reference yield:

1,4-bis-(dimethylamino)-1,3-butadiene (69309-33-7) + 1-aminooctadecane (124-30-1) → 1-n-octadecylpyrrole (89601-24-1)

Guidance literature:

With hydrogenchloride; propionic acid; Behandeln des Reaktionsgemisches mit Kaliumhydroxid und anschliessendes Erhitzen;

DOI:10.1021/ja01572a045

upstream raw materials:

1,4-bis-(dimethylamino)-1,3-butadiene

1-aminooctadecane

pyrrole

1-Bromooctadecane