3-Benzyl-1-dodecyl-2-methyl-1h-imidazol-3-ium chloride

Base Information

• Chemical Name: 3-Benzyl-1-dodecyl-2-methyl-1h-imidazol-3-ium chloride
• CAS No.: 21054-72-8
• Deprecated CAS: 21054-73-9
• Molecular Formula: C23H37 N2 . Cl
• Molecular Weight: 377.013
• European Community (EC) Number: 244-179-5
• DSSTox Substance ID: DTXSID80943360
• Mol file: 21054-72-8.mol

Synonyms:21054-72-8;3-benzyl-1-dodecyl-2-methyl-1h-imidazol-3-ium chloride;1-Dodecyl-2-methyl-3-benzylimidazolium chloride;1-benzyl-3-dodecyl-2-methylimidazol-1-ium;chloride;1-DODECYL-2-METHYL-3-BENZYLIMIDAZOLIUMCHLORIDE;1H-Imidazolium, 1-dodecyl-2-methyl-3-(phenylmethyl)-, chloride;C23H37ClN2;[VMIm]TfS;SCHEMBL232266;DTXSID80943360;WAA05472;EINECS 244-179-5;MFCD22577156;AKOS024462592;AKOS037643633;AS-19039;CS-0152235;C73992;J-504581;3-Benzyl-1-dodecyl-2-methyl-1H-imidazolium chloride;1-Benzyl-3-dodecyl-2-methyl-1H-imidazol-3-ium chloride;1H-Imidazolium,1-dodecyl-2-methyl-3-(phenylmethyl)-,chloride(1:1)

Chemical Property of 3-Benzyl-1-dodecyl-2-methyl-1h-imidazol-3-ium chloride

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 8.81000
• Density: g/cm³
• LogP: 3.05720
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 13
• Exact Mass: 376.2645269
• Heavy Atom Count: 26
• Complexity: 311

Purity/Quality:

97% ^*data from raw suppliers

1-Dodecyl-2-methyl-3-benzylimidazoliumChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCN1C=C[N+](=C1C)CC2=CC=CC=C2.[Cl-]

Technology Process of 3-Benzyl-1-dodecyl-2-methyl-1h-imidazol-3-ium chloride

There total 2 articles about 3-Benzyl-1-dodecyl-2-methyl-1h-imidazol-3-ium 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:

2-methylimidazole (693-98-1) + benzyl chloride (100-44-7) + 1-dodecylbromide (143-15-7) → 1-dodecyl-2-methyl-3-benzylimidazolium chloride (21054-72-8,21054-73-9)

Guidance literature:

2-methylimidazole; 1-dodecylbromide; In N,N-dimethyl-formamide; at 0 - 20 ℃;

benzyl chloride; at 60 ℃; for 24h;

DOI:10.1039/c5ta00562k

Reference yield:

→ 1-dodecyl-2-methyl-3-benzylimidazolium chloride (21054-72-8,21054-73-9)

Guidance literature:

Darst.;

Reference yield: 95.0%

1,1,1-trifluoro-4-(2-thienyl)butane-2,4-dione (326-91-0) + europium(III) chloride hexahydrate + 1-dodecyl-2-methyl-3-benzylimidazolium chloride (21054-72-8,21054-73-9) → C32H16EuF12O8S4(1-)*C23H37N2(1+)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 20 ℃; for 2h;

upstream raw materials:

2-methylimidazole

benzyl chloride

1-dodecylbromide

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