1,3-Bis(4-chlorophenyl)-1H-imidazol-3-ium chloride

Base Information

• Chemical Name: 1,3-Bis(4-chlorophenyl)-1H-imidazol-3-ium chloride
• CAS No.: 141556-46-9
• Molecular Formula: C15H11 Cl2 N2 . Cl
• Molecular Weight: 325.62
• Hs Code.: 2933290090
• European Community (EC) Number: 687-008-3
• DSSTox Substance ID: DTXSID80579865
• Mol file: 141556-46-9.mol

Synonyms:141556-46-9;1,3-Bis(4-chlorophenyl)-1H-imidazol-3-ium chloride;1,3-BIS(4-CHLOROPHENYL)IMIDAZOLIUM CHLORIDE;1H-Imidazolium, 1,3-bis(4-chlorophenyl)-, chloride (1:1);1,3-bis(4-chlorophenyl)imidazol-1-ium;chloride;MFCD03788924;1,3-bis-(4-Chlorophenyl)imidazolium chloride;1,3-Bis(4-chlorophenyl)-1H-imidazol-3-iumchloride;SCHEMBL3940284;DTXSID80579865;1,3-Bis(4-chlorophenyl)midazolium chloride;CS-0035204;D83390

Chemical Property of 1,3-Bis(4-chlorophenyl)-1H-imidazol-3-ium chloride

Chemical Property:

• Melting Point: 251-252°C
• PSA: 8.81000
• LogP: 1.06480
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 323.998781
• Heavy Atom Count: 20
• Complexity: 256

Purity/Quality:

99%, ^*data from raw suppliers

1,3-Bis(4-chlorophenyl)imidazolium chloride, min. 97% ^*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: C1=CC(=CC=C1N2C=C[N+](=C2)C3=CC=C(C=C3)Cl)Cl.[Cl-]

Technology Process of 1,3-Bis(4-chlorophenyl)-1H-imidazol-3-ium chloride

There total 2 articles about 1,3-Bis(4-chlorophenyl)-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: 66.0%

1,4-bis(4-chlorophenyl)-1,4-diazabuta-1,3-diene (24978-44-7,70735-07-8) + ethyl chloromethyl ether (3188-13-4) → 1,3-bis(4'-chlorophenyl)imidazolium chloride (141556-46-9)

Guidance literature:

In tetrahydrofuran; water; at 40 ℃; for 20h;

DOI:10.1021/ol101014q

Reference yield: 61.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + Glyoxal (131543-46-9,107-22-2) + 4-chloro-aniline (106-47-8) → 1,3-bis(4'-chlorophenyl)imidazolium chloride (141556-46-9)

Guidance literature:

formaldehyd; 4-chloro-aniline; With acetic acid; In water; for 0.166667h;

Glyoxal; In water; at 40 ℃; for 1h;

With hydrogenchloride; In water; for 0.5h; Reflux;

DOI:10.1021/acs.joc.7b00716

Reference yield: 43.0%

1,3-bis(4'-chlorophenyl)imidazolium chloride (141556-46-9) → (1,3-bis(4-chlorophenyl)imidazol-2-ylidene)borane (1234511-84-2)

Guidance literature:

1,3-bis(4'-chlorophenyl)imidazolium chloride; With sodium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 1h;

With borane-THF; In tetrahydrofuran; at -78 - 20 ℃;

DOI:10.1021/ol101014q

upstream raw materials:

1,4-bis(4-chlorophenyl)-1,4-diazabuta-1,3-diene

ethyl chloromethyl ether

formaldehyd

Glyoxal

Downstream raw materials:

1,3-bis(4-chlorophenyl)imidazol-2-ylidene

(1,3-bis(4-chlorophenyl)imidazol-2-ylidene)borane

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