1-Propyl-1H-imidazole

Base Information

• Chemical Name: 1-Propyl-1H-imidazole
• CAS No.: 35203-44-2
• Molecular Formula: C6H10 N2
• Molecular Weight: 110.159
• Hs Code.: 2942000000
• European Community (EC) Number: 252-431-0
• UNII: PR14NYU5X2
• DSSTox Substance ID: DTXSID70188708
• Nikkaji Number: J289.931K
• Wikidata: Q72502857
• ChEMBL ID: CHEMBL95929
• Mol file: 35203-44-2.mol

Synonyms:1-Propyl-1H-imidazole;35203-44-2;1-propylimidazole;N-Propylimidazole;1H-Imidazole, propyl-;1H-Imidazole, 1-propyl-;EINECS 252-431-0;PR14NYU5X2;MFCD00060494;UNII-PR14NYU5X2;CHEMBL95929;SCHEMBL152066;1-Subsituted 1H-imidazole, 1;BDBM84667;AMY8648;DTXSID70188708;CoreyLactone5-(4-phenylbenzoate);STL583925;AKOS002677337;CS-W016625;AS-12442;SY029323;FT-0655352;P1991;EN300-53765;D70905;A822648;J-505105;QuadraPure(R) BDZ, 400-750 mum, extent of labeling: 1.0-1.4 mmol/g loading, macroporous

Chemical Property of 1-Propyl-1H-imidazole

Chemical Property:

• Appearance/Colour: colorless or light yellow transparent liquid
• Vapor Pressure: 0.399mmHg at 25°C
• Refractive Index: 1.513
• Boiling Point: 221.3 °C at 760 mmHg
• PKA: 7.09±0.10(Predicted)
• Flash Point: 87.6 °C
• PSA: 17.82000
• Density: 0.95 g/cm³
• LogP: 1.29310
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 110.084398327
• Heavy Atom Count: 8
• Complexity: 63.5

Purity/Quality:

99% ^*data from raw suppliers

N-Propylimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN1C=CN=C1

Technology Process of 1-Propyl-1H-imidazole

There total 12 articles about 1-Propyl-1H-imidazole 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: 100.0%

1H-imidazole (288-32-4) + propyl bromide (106-94-5) → 1-propyl-1H-imidazole (35203-44-2)

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1039/c2dt31984e

Reference yield: 90.0%

1H-imidazole (288-32-4) + 1-iodo-propane (107-08-4) → 1-propyl-1H-imidazole (35203-44-2)

Guidance literature:

With potassium carbonate; at 100 ℃; for 0.666667h; Microwave irradiation;

DOI:10.1080/00397910903226166

Reference yield: 81.0%

3-(1H-imidazol-1-yl)propan-1-amine (5036-48-6) → 1-propyl-1H-imidazole (35203-44-2)

Guidance literature:

With N-(benzyloxy)-N-(pivaloyloxy)-4-(trifluoromethyl)benzamide; In acetonitrile; at 25 ℃; for 1h; Solvent; Inert atmosphere;

DOI:10.1021/jacs.1c09779

upstream raw materials:

1H-imidazole

propyl bromide

1-butyl-3-propyl-imidazolium; iodide

1-propyl-3-methyl-1H-imidazol-3-ium iodide

Refernces

• 1、 Aher, Sainath Babaji,Bhagat, Pundlik Rambhau. "Convenient synthesis of imidazolium based dicationic ionic liquids". . p. 5587 - 5596. Retrieved 2016.
• 2、 Keppeler, Nicolas,Galgano, Paula D.,da Silva Santos, Soraya,Malek, Naved I.,El Seoud, Omar A.. "On the effects of head-group volume on the adsorption and aggregation of 1-(n-hexadecyl)-3-Cm-imidazolium bromide and chloride surfactants in aqueous solutions". . . Retrieved 2021/02/09.
• 3、 -. "Continuous production process of 2, 3, 5-trichloropyridine". Paragraph 0013-0014. . Retrieved 2021/10/30.