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

Product Information

Molecular Formula:
C22H31ClN2
Molecular Weight:
358.95
Description
Reactant for:• Preparation of chelated ruthenium alkoxybenzylidene imidazolidene carbene pivalate catalysts for Z-selective olefin metathesis• Use in ring-opening metathesis polymerization and ring-closing metathesis reactions via Grubbs catalyst mediated reactions• Preparation of adamantyl-substituted N-heterocyclic carbene ligands in second-generation Grubbs-type iridium metathesis catalysis
Synonyms
1-(1-Adamantyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazolium chloride
IUPAC Name
1-(1-adamantyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-iumchloride
Canonical SMILES
CC1=CC(=C(C(=C1)C)N2CC[N+](=C2)C34CC5CC(C3)CC(C5)C4)C.[Cl-]
InChI
InChI=1S/C22H31N2.ClH/c1-15-6-16(2)21(17(3)7-15)23-4-5-24(14-23)22-11-18-8-19(12-22)10-20(9-18)13-22/h6-7,14,18-20H,4-5,8-13H2,1-3H31H/q+1/p-1
InChI Key
MJOMRTQWLPXDJQ-UHFFFAOYSA-M
Melting Point
263-280 °C
Flash Point
Not applicable

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
358.2175767 g/mol
Monoisotopic Mass
358.2175767 g/mol
Topological Polar Surface Area
6.2Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
483
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2021158704-A1 Methods for microwave synthesis of degradable polymers for drug delivery 2020-02-03
JP-2018140985-A Method for producing aromatic compound 2017-02-28
EP-2574187-B1 Squalane and isosqualane compositions and methods for preparing the same 2010-05-21
JP-2013530145-A Squalane and isosqualane compositions and methods of preparing the same 2010-05-21
JP-2017061568-A Squalane and isosqualane compositions and methods of preparing the same 2010-05-21
JP-2018109060-A Squalane and isosqualane compositions and methods of preparing the same 2010-05-21
JP-6351057-B2 Squalane and isosqualane compositions and methods of preparing the same 2010-05-21
US-2011287988-A1 Squalane and isosqualane compositions and methods for preparing the same 2010-05-21
US-8586814-B2 Squalane and isosqualane compositions and methods for preparing the same 2010-05-21
EP-2803356-A1 Method for treating neurological disorders with imidazolium and imidazolinium compounds 2008-03-31
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Related Products

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