1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene - CAS 258278-28-3
Catalog: |
BB019039 |
Product Name: |
1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene |
CAS: |
258278-28-3 |
Synonyms: |
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydro-2H-imidazol-1-ium-2-ide; 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydro-2H-imidazol-1-ium-2-ide |
IUPAC Name: | 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydro-2H-imidazol-1-ium-2-ide |
Description: | 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene (CAS# 258278-28-3) is used as a reagent in the synthesis of mononuclear [(η6-arene)Ni(N-heterocyclic carbene)] complexes which are useful precursors of the Ni0-NHC unit. |
Molecular Weight: | 390.62 |
Molecular Formula: | C27H38N2 |
Canonical SMILES: | CC(C)C1=C(C(=CC=C1)C(C)C)N2CC[N+](=[C-]2)C3=C(C=CC=C3C(C)C)C(C)C |
InChI: | InChI=1S/C27H38N2/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8/h9-14,18-21H,15-16H2,1-8H3 |
InChI Key: | XZDYFCGKKKSOEY-UHFFFAOYSA-N |
Boiling Point: | 487.5 °C at 760 mmHg |
LogP: | 7.34670 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2012010207-A1 | Chemical Compounds | 20100712 |
US-8685977-B2 | Chemical compounds | 20100712 |
US-2011269917-A1 | Cyclic carbonyl compounds with pendant carbonate groups, preparations thereof, and polymers therefrom | 20100430 |
US-2011243848-A1 | Star polymers, methods of preparation thereof, and uses thereof | 20100330 |
US-2011182996-A1 | Surface modified nanoparticles, methods of their preparation, and uses thereof for gene and drug delivery | 20100128 |
PMID | Publication Date | Title | Journal |
22930564 | 20121001 | Fast olefin metathesis at low catalyst loading | Chemistry (Weinheim an der Bergstrasse, Germany) |
21875050 | 20111003 | Thermodynamic, kinetic, and mechanistic study of oxygen atom transfer from mesityl nitrile oxide to phosphines and to a terminal metal phosphido complex | Inorganic chemistry |
21671608 | 20110715 | Nickel-catalyzed synthesis of 1,3,5-trisubstituted hydantoins from acrylates and isocyanates | Organic letters |
21472176 | 20110521 | Anhydrous TEMPO-H: reactions of a good hydrogen atom donor with low-valent carbon centres | Organic & biomolecular chemistry |
21423960 | 20110507 | Simple synthetic routes to ruthenium-indenylidene olefin metathesis catalysts | Chemical communications (Cambridge, England) |
Complexity: | 467 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 390.303499221 |
Formal Charge: | 0 |
Heavy Atom Count: | 29 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 390.303499221 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 6.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 7.6 |
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