1-(1-Adamantyl)-3-(2,4,6-trimethylphenyl)imidazolinium chloride

Base Information

• Chemical Name: 1-(1-Adamantyl)-3-(2,4,6-trimethylphenyl)imidazolinium chloride
• CAS No.: 639820-61-4
• Molecular Formula: C22H31ClN2
• Molecular Weight: 358.95
• European Community (EC) Number: 693-745-1
• DSSTox Substance ID: DTXSID90584788
• Mol file: 639820-61-4.mol

Synonyms:639820-61-4;1-(1-Adamantyl)-3-(2,4,6-trimethylphenyl)imidazolinium chloride;1-(Adamantan-1-yl)-3-mesityl-4,5-dihydro-1H-imidazol-3-ium chloride;1-(1-Adamantyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazolium chloride;1-(1-adamantyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;chloride;SCHEMBL819401;DTXSID90584788;BS-46337;CS-0163419;D81299;3-(Tricyclo[3.3.1.1~3,7~]decan-1-yl)-1-(2,4,6-trimethylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride

Chemical Property of 1-(1-Adamantyl)-3-(2,4,6-trimethylphenyl)imidazolinium chloride

Chemical Property:

• Melting Point: 263-280 °C
• PSA: 6.25000
• LogP: 1.46920
• 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: 358.2175767
• Heavy Atom Count: 25
• Complexity: 483

Purity/Quality:

97% ^*data from raw suppliers

1-(1-Adamantyl)-3-(2,4,6-trimethylphenyl)imidazolinium chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)N2CC[N+](=C2)C34CC5CC(C3)CC(C5)C4)C.[Cl-]
• Uses: Reactant for:Preparation of chelated ruthenium alkoxybenzylidene imidazolidene carbene pivalate catalysts for Z-selective olefin metathesisUse in ring-opening metathesis polymerization and ring-closing metathesis reactions via Grubbs catalyst mediated reactionsPreparation of adamantyl-substituted N-heterocyclic carbene ligands in second-generation Grubbs-type iridium metathesis catalysis

Technology Process of 1-(1-Adamantyl)-3-(2,4,6-trimethylphenyl)imidazolinium chloride

There total 1 articles about 1-(1-Adamantyl)-3-(2,4,6-trimethylphenyl)imidazolinium 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:

C21H32N2*2HCl + orthoformic acid triethyl ester (122-51-0) → 1-(mesityl)-3-(adamant-1-yl)-4,5-dihydro-imidazolium chloride (639820-61-4)

Guidance literature:

Heating;

DOI:10.1002/chem.200600064

Reference yield: 92.0%

1-(mesityl)-3-(adamant-1-yl)-4,5-dihydro-imidazolium chloride (639820-61-4) + Hoveyda-Grubbs catalyst first generation → RuCl2(H2IMesAdm)(CHC6H4OiPr)

Guidance literature:

With KOC(CH₃)2CH₂CH₃; In hexane; treatment of imidazolidinium deriv. with potassium tert-amylate in hexane at room temp. for 1 h, reaction with ruthenium compd. in hexane at 60°C for 4 h;

DOI:10.1021/ja202818v

Reference yield: 58.0%

Grubbs catalyst first generation + 1-(mesityl)-3-(adamant-1-yl)-4,5-dihydro-imidazolium chloride (639820-61-4) → RuCl2(CH(phenyl))(1-(1-adamantyl)-3-mesityl-4,5-dihydroimidazol-2-ylidene)(tricyclohexylphosphine)

Guidance literature:

With potassium tert-pentoxide; In toluene; N2; adding potassium tert-pentoxide to toluene suspn. of ligand, stirring for 5 min, addn. of solid Ru complex, heating the resulting soln. at 60°C for 2 h; cooling to room temp., solvent removal under vac., addn. of methanol, stirring the mixt. for 1 h, filtration, washing the solid with methanol, drying under vac.;

DOI:10.1021/om034062k

upstream raw materials:

orthoformic acid triethyl ester

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