1,3-Dimesitylimidazolium-2-carboxylate

Base Information

• Chemical Name: 1,3-Dimesitylimidazolium-2-carboxylate
• CAS No.: 675877-56-2
• Molecular Formula: C22H24N2O2
• Molecular Weight: 348.43816
• European Community (EC) Number: 835-167-6
• DSSTox Substance ID: DTXSID60575608
• Nikkaji Number: J2.001.079G
• Wikidata: Q82465011

Synonyms:1,3-Dimesitylimidazolium-2-carboxylate;675877-56-2;1H-Imidazolium, 2-carboxy-1,3-bis(2,4,6-trimethylphenyl)-, inner salt;MFCD31618131;1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium-2-carboxylate;IMes.CO2;SCHEMBL2151040;DTXSID60575608;SY234695;CS-0095834;D5401;T71212;1,3-dimesityl-1h-imidazol-3-ium-2-carboxylate;1,3-Bis(2,4,6-trimethylphenyl)imidazolium-2-carboxylate;1,3-Bis(2,4,6-trimethylphenyl)-1H-imidazol-3-ium-2-carboxylate

Chemical Property of 1,3-Dimesitylimidazolium-2-carboxylate

Chemical Property:

• Melting Point: 241°C(dec.)(lit.)
• PSA: 48.94000
• LogP: 2.96790
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 348.183778013
• Heavy Atom Count: 26
• Complexity: 443

Purity/Quality:

97% ^*data from raw suppliers

1,3-Dimesitylimidazolium-2-carboxylate >98.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2C(=O)[O-])C3=C(C=C(C=C3C)C)C)C

Technology Process of 1,3-Dimesitylimidazolium-2-carboxylate

There total 5 articles about 1,3-Dimesitylimidazolium-2-carboxylate 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: 98.0%

carbon dioxide (124-38-9,18923-20-1) + 1,3-dimesitylimidazolium tetrafluoroborate → 1,3-bis(2,4,6-trimethylphenyl)imidazolium-2-carboxylate (675877-56-2)

Guidance literature:

1,3-dimesitylimidazolium tetrafluoroborate; With potassium hexamethylsilazane; In tetrahydrofuran; at 20 ℃; for 15h; Inert atmosphere;

carbon dioxide; In tetrahydrofuran; for 1h;

DOI:10.1055/s-0030-1260250

Reference yield: 95.0%

carbon dioxide (124-38-9,18923-20-1) + 1,3-bis(mesityl)imidazolium chloride (141556-45-8) → 1,3-bis(2,4,6-trimethylphenyl)imidazolium-2-carboxylate (675877-56-2)

Guidance literature:

With potassium tert-butylate; at 20 ℃;

DOI:10.1039/b311350g

Reference yield: 95.0%

carbon dioxide (124-38-9,18923-20-1) + [1,3-bis(2,4,6-trimethylphenyl)imidazol]-2-ylidene (141556-42-5) → 1,3-bis(2,4,6-trimethylphenyl)imidazolium-2-carboxylate (675877-56-2)

Guidance literature:

In diethyl ether; at -78 ℃; under 760 Torr;

DOI:10.1039/b311350g

upstream raw materials:

carbon dioxide

[1,3-bis(2,4,6-trimethylphenyl)imidazol]-2-ylidene

1,3-bis(mesityl)imidazolium chloride

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