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

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

Inquiry

Molecular Formula:

C22H31ClN2

Molecular Weight:

358.95

CAS Number:

639820-61-4

Catalog Number:

639820-61-4

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

358.2175767 g/mol

Monoisotopic Mass

358.2175767 g/mol

Topological Polar Surface Area

6.2Å²

Heavy Atom Count

Formal Charge

Complexity

483

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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