1-Hexylimidazole

Base Information

• Chemical Name: 1-Hexylimidazole
• CAS No.: 33529-01-0
• Molecular Formula: C9H16 N2
• Molecular Weight: 152.239
• Hs Code.: 2933290090
• European Community (EC) Number: 801-287-2
• DSSTox Substance ID: DTXSID70187175
• Nikkaji Number: J1.770.601B
• Wikidata: Q83058745
• ChEMBL ID: CHEMBL97328
• Mol file: 33529-01-0.mol

Synonyms:1-Hexylimidazole;33529-01-0;1-Hexyl-1H-imidazole;1H-Imidazole, 1-hexyl-;MFCD07636719;n-hexylimidazole;CHEMBL97328;SCHEMBL345303;1-Subsituted 1H-imidazole, 4;BDBM84669;DTXSID70187175;KGWVFQAPOGAVRF-UHFFFAOYSA-N;AKOS013124187;AS-10320;SY029771;CS-0152141;FT-0743956;D70731;A875262

Chemical Property of 1-Hexylimidazole

Chemical Property:

• Boiling Point: 269.9°Cat760mmHg
• PKA: 7.20±0.12(Predicted)
• Flash Point: 117°C
• PSA: 17.82000
• Density: 0.93g/cm³
• LogP: 2.46340
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 152.131348519
• Heavy Atom Count: 11
• Complexity: 93.6

Purity/Quality:

98% ^*data from raw suppliers

1-Hexylimidazole 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCN1C=CN=C1

Technology Process of 1-Hexylimidazole

There total 12 articles about 1-Hexylimidazole 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: 99.0%

1H-imidazole (288-32-4) + 1-Iodohexane (638-45-9) → 1-hexylimidazole (33529-01-0)

Guidance literature:

With C₁₂H₁₈ClCuN₄O⁽¹⁺⁾*ClO₄^(1-); caesium carbonate; In acetonitrile; at 80 ℃; for 24h; Reagent/catalyst; Inert atmosphere;

DOI:10.1016/j.poly.2019.03.001

Reference yield: 97.0%

1H-imidazole (288-32-4) + 1-bromo-hexane (111-25-1) → 1-hexylimidazole (33529-01-0)

Guidance literature:

1H-imidazole; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 ℃; Inert atmosphere;

1-bromo-hexane; In tetrahydrofuran; mineral oil; at 20 ℃; Inert atmosphere;

DOI:10.1002/anie.201001729

Reference yield: 92.0%

1-bromo-hexane (111-25-1) + imidazolyl sodium (5587-42-8) → 1-hexylimidazole (33529-01-0)

Guidance literature:

In tetrahydrofuran; at 65 ℃;

upstream raw materials:

1H-imidazole

1-Chlorohexane

1-bromo-hexane

1-Iodohexane

Downstream raw materials:

1-(1-butyl-3-imidazolio)butane-4-sulfonate

Refernces

• 1、 Lee, Minjae,Niu, Zhenbin,Slebodnick, Carla,Gibson, Harry W.. "Structure and properties of N, N-alkylene bis(Na?2-alkylimidazolium) salts". . p. 7312 - 7319. Retrieved 2010.
• 2、 -. "Preparation method of nitrogen-alkyl (deuterated alkyl) aromatic heterocycle and alkyl (deuterated alkyl) aryl ether compound". Paragraph 0099-0103; 0105. . Retrieved 2021/04/03.
• 3、 Brockhausen, Inka,Kocev, Alexander,Kong, Xianqi,Melamed, Jacob,Szarek, Walter A.,Vlahakis, Jason Z.,Wang, Shuo,Xu, Yaozu. "Inhibition of bacterial growth and galactosyltransferase activity of WbwC by α, ω-bis(3-alkyl-1H-imidazolium)alkane salts: Effect of varying carbon content". . . Retrieved 2020/04/21.