1,3-Dicyclohexyl-imidazolium chloride

Base Information

• Chemical Name: 1,3-Dicyclohexyl-imidazolium chloride
• CAS No.: 181422-72-0
• Molecular Formula: C₁₅H₂₅N₂*Cl
• Molecular Weight: 268.83
• Hs Code.: 2933290090
• European Community (EC) Number: 679-879-3
• DSSTox Substance ID: DTXSID30449781
• Mol file: 181422-72-0.mol

Synonyms:181422-72-0;1,3-DICYCLOHEXYL-IMIDAZOLIUM CHLORIDE;1,3-dicyclohexyl-1h-imidazol-3-ium chloride;1,3-Dicyclohexylimidazolium Chloride;1,3-dicyclohexylimidazol-1-ium;chloride;MFCD04973309;IcHex.HCl;1,3-Dicyclohexyl-3-imidazolium Chloride;1,3-DICYCLOHEXYL IMIDAZOLIUM CHLORIDE;C15H25ClN2;SCHEMBL819059;DTXSID30449781;1,3-DicyclohexyliMidazoliuMchloride;4-(prop-1-ynyl)pyrimidin-2-amine;BCP18732;AKOS025395097;CS-W012403;NS-00054;SY105207;1,3-dicyclohexyl-1h-imidazol-3-iumchloride;D3882;FT-0699479;F12387;A855502;1,3-dicyclohexyl-3H-1lambda5-imidazol-1-ylium chloride

Chemical Property of 1,3-Dicyclohexyl-imidazolium chloride

Chemical Property:

• Melting Point: 101-144°C (decomposition)
• PSA: 8.81000
• LogP: 0.79000
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Soluble in water
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 268.1706265
• Heavy Atom Count: 18
• Complexity: 205

Purity/Quality:

97% ^*data from raw suppliers

1,3-Dicyclohexylimidazolium Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: R36/37/38:
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)N2C=C[N+](=C2)C3CCCCC3.[Cl-]
• Uses: 1,3-Dicyclohexyl-imidazolium Chloride is used in preparation of Carboxylic Acid by catalytic oxidation of Aldehyde.

Technology Process of 1,3-Dicyclohexyl-imidazolium chloride

There total 4 articles about 1,3-Dicyclohexyl-imidazolium chloride 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: 81.5%

N,N'-dicyclohexylethylenediimine (3673-06-1) + N,N-dimethyl(methylene)ammonium chloride (30354-18-8) → 1,3-dicyclohexyl-1H-imidazol-3-ium chloride (181422-72-0)

Guidance literature:

In dichloromethane; for 0.25h; cooling;

DOI:10.1070/MC2006v016n05ABEH002347

Reference yield: 80.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + Glyoxal (131543-46-9,107-22-2) + cyclohexylamine (108-91-8,157973-60-9) → 1,3-dicyclohexyl-1H-imidazol-3-ium chloride (181422-72-0)

Guidance literature:

Glyoxal; cyclohexylamine; With formic acid; In water; for 2h; Milling; Green chemistry;

formaldehyd; With hydrogenchloride; In 1,4-dioxane; water; for 3h; Milling; Green chemistry;

DOI:10.1039/c7gc03539j

Reference yield:

cyclohexylamine (108-91-8,157973-60-9) → 1,3-dicyclohexyl-1H-imidazol-3-ium chloride (181422-72-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / CaCl₂ / CH₂Cl₂; H₂O / 0.5 h / cooling

2: 81.5 percent / CH₂Cl₂ / 0.25 h / cooling

With calcium chloride; In dichloromethane; water;

DOI:10.1070/MC2006v016n05ABEH002347

upstream raw materials:

N,N'-dicyclohexylethylenediimine

N,N-dimethyl(methylene)ammonium chloride

cyclohexylamine

formaldehyd