1,3-Di-tert-butylimidazol-2-ylidene - CAS 157197-53-0

Catalog:	BB011298
Product Name:	1,3-Di-tert-butylimidazol-2-ylidene
CAS:	157197-53-0
Synonyms:	1,3-ditert-butyl-2H-imidazol-1-ium-2-ide; 1,3-ditert-butyl-2H-imidazol-1-ium-2-ide

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1,3-ditert-butyl-2H-imidazol-1-ium-2-ide
Description:	1,3-Di-tert-butylimidazol-2-ylidene (CAS# 157197-53-0) is a useful research chemical.
Molecular Weight:	180.31
Molecular Formula:	C11H20N2
Canonical SMILES:	CC(C)(C)N1C=C[N+](=[C-]1)C(C)(C)C
InChI:	InChI=1S/C11H20N2/c1-10(2,3)12-7-8-13(9-12)11(4,5)6/h7-8H,1-6H3
InChI Key:	FENRCIKTFREPGS-UHFFFAOYSA-N
Boiling Point:	233.32 °C at 760 mmHg
Appearance:	White to slightly pale reddish yellow powder
LogP:	2.25790

Publication Number	Title	Priority Date
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
US-2011150977-A1	Antimicrobial polymers and methods of manufacture thereof	20091223
US-2011152167-A1	Biodegradable block polymers for drug delivery, and methods related thereto	20091223

PMID	Publication Date	Title	Journal
22213483	20120206	Reversible insertion of 1,3-di-tert-butylimidazol-2-ylidene into a Ru-H bond and bimetallic activation of a N-C bond of imidazoline	Angewandte Chemie (International ed. in English)
20309474	20100414	Unusual reactivity in organoaluminium and NHC chemistry: deprotonation of AlMe3 by an NHC moiety involving the formation of a sterically bulky NHC-AlMe3 Lewis adduct	Chemical communications (Cambridge, England)
20449153	20090921	Synthetic and structural studies on amine coordination to Pd-N-heterocyclic carbene complexes	Dalton transactions (Cambridge, England : 2003)
19722685	20090817	Dehydrogenation of LGeH by a Lewis N-heterocyclic carbene borane pair under the formation of L'Ge and its reactions with B(C(6)F(5))(3) and trimethylsilyl diazomethane: an unprecedented rearrangement of a diazocompound to an isonitrile	Inorganic chemistry
19117482	20090202	Cleavage of a N-H bond of ammonia at room temperature by a germylene	Inorganic chemistry

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Related Functional Groups

Imidazoles

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GHS Hazard Statement:	H228 (50%): Flammable solid [Danger Flammable solids]
Precautionary Statement:	P210, P240, P241, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.162648646
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	180.162648646
Rotatable Bond Count:	2
Topological Polar Surface Area:	6.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9