1-Butylimidazole

Base Information

• Chemical Name: 1-Butylimidazole
• CAS No.: 4316-42-1
• Molecular Formula: C7H12N2
• Molecular Weight: 124.186
• Hs Code.: 29332990
• European Community (EC) Number: 224-335-9
• NSC Number: 158165
• UN Number: 2690
• UNII: C7JXC99E8F
• DSSTox Substance ID: DTXSID8073976
• Nikkaji Number: J61.488B
• Wikidata: Q72514327
• ChEMBL ID: CHEMBL97667
• Mol file: 4316-42-1.mol

Synonyms:1-N-butylimidazole

Chemical Property of 1-Butylimidazole

Chemical Property:

• Appearance/Colour: colorless to light yellow colored liquid
• Vapor Pressure: 0.0465mmHg at 25°C
• Melting Point: 72oC
• Refractive Index: n20/D 1.480(lit.)
• Boiling Point: 244.8 °C at 760 mmHg
• PKA: 7.09±0.10(Predicted)
• Flash Point: 97.2 °C
• PSA: 17.82000
• Density: 0.94 g/cm³
• LogP: 1.68320
• Storage Temp.: Refrigerator
• Solubility.: Soluble in Chloroform, Methanol.
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 124.100048391
• Heavy Atom Count: 9
• Complexity: 73.3
• Transport DOT Label: Poison

Purity/Quality:

98% ^*data from raw suppliers

1-Butylimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Imidazoles
• Canonical SMILES: CCCCN1C=CN=C1
• Uses: 1-(n-Butyl)imidazole is used in the synthesis of a heterocyclic mesomeric betaine and 1-(1-butyl-3-imidazolio)propane-3-sulfonate (BIm3S). It acts as an N-coordinated ligand. It is used in the chiral separation of amino acids and anionic pharmaceuticals by capillary electrophoresis. It is used for preparation of substituted phenyl-containing imidazolium ionic liquid. 1-Butylimidazole may be used in the synthesis of a heterocyclic mesomeric betaine. It was used in the synthesis of 1-(1-butyl-3-imidazolio)propane-3-sulfonate (BIm3S).

Technology Process of 1-Butylimidazole

There total 42 articles about 1-Butylimidazole 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: 99.3%

Glyoxal (131543-46-9,107-22-2) + urea (57-13-6) → 4,5-dihydroxy-2-imidazolidinone (3720-97-6) + glycoluril (496-46-8)

Guidance literature:

With sodium hydrogencarbonate; In water; at 40 - 60 ℃; for 6h; under 760.051 Torr; pH=5.5 - 6.1; Reagent/catalyst; Sealed tube;

Reference yield: 99.3%

Glyoxal (131543-46-9,107-22-2) + urea (57-13-6) → 4,5-dihydroxy-2-imidazolidinone (3720-97-6)

Guidance literature:

With sodium hydrogencarbonate; In water; at 40 - 60 ℃; pH=5.5 - 6; Reagent/catalyst; Sealed tube;

Reference yield: 95.0%

1-butylimidazolium chloride → 1-Butylimidazole (4316-42-1)

Guidance literature:

With sodium hydroxide; In water;

DOI:10.1039/c8gc00618k

upstream raw materials:

1H-imidazole

1-bromo-butane

1-butyl-3-propyl-imidazolium; iodide

3-ethyl-1-butyl-imidazolium; iodide

Downstream raw materials:

acrylic acid

1-n-butyl-1H-imidazole-2-carbaldehyde

1-n-butyl-3-methylimidazolium methanesulfonate

Refernces

Physicochemical properties of new imidazolium-based ionic liquids containing aromatic group

10.1021/acs.jced.5b00983

The study investigates the physicochemical and thermal properties of three novel imidazolium-based ionic liquids containing aromatic groups in the cation combined with the bis(trifluoromethylsulfonyl)imide anion. The chemicals involved include benzimidazole, 1-bromobutane, 2-phenylimidazole, 1-butylimidazole, benzyl chloride, and sodium bis(trifluoromethylsulfonyl)imide. These chemicals are used to synthesize the ionic liquids through a two-step procedure. The synthesized ionic liquids are 1-butyl-3H-benzoimidazolium bis(trifluoromethylsulfonyl)imide [BzBIm][NTf2], 1-butyl-2-phenyl-imidazolium bis(trifluoromethylsulfonyl)imide [BPhIm][NTf2], and 1-benzyl-3-butyl-imidazolium bis(trifluoromethylsulfonyl)imide [BnBIm][NTf2]. The study measures their density, viscosity, thermal decomposition, glass transition, and heat capacity at various temperatures and atmospheric pressure. The results show that the presence of different types of aromatic groups in the ILs structures significantly influences their physicochemical properties, notably through the number of available degrees of freedom by strengthening or weakening intermolecular π?π interactions.

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