1,3-Bis[2,6-bis(1-methylethyl)phenyl]-2-carboxy-1H-imidazolium Inner Salt - CAS 917604-39-8
Catalog: |
BB055163 |
Product Name: |
1,3-Bis[2,6-bis(1-methylethyl)phenyl]-2-carboxy-1H-imidazolium Inner Salt |
CAS: |
917604-39-8 |
Synonyms: |
1,3-bis(2,6-diisopropylphenyl)imidazolium-2-carboxylate; 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-carboxylate; 1,3-Bis[2,6-bis(1-methylethyl)phenyl]-2-carboxy-1H-imidazolium Inner Salt; IPr.CO2 |
IUPAC Name: | 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-carboxylate |
Description: | 1,3-Bis[2,6-bis(1-methylethyl)phenyl]-2-carboxy-1H-imidazolium Inner Salt is synthesized from 1,3-Bis(2,6-diisopropylphenyl)imidazolium Chloride(B426650). 1,3-Bis(2,6-diisopropylphenyl)imidazolium Chloride is used as a reagent in the synthesis of NHC Copper(I) complexes bearing dipyridylamine ligands which exhibit interesting luminescent properties and are potential candidates for organic light-emitting diode applications. 1,3-Bis(2,6-diisopropylphenyl)imidazolium Chloride is also used as a reagent in the synthesis of 5,6-Dimethyl-9-oxo-9H-xanthene-4-acetic Acid Methyl Ester (D476595) |
Molecular Weight: | 432.6 |
Molecular Formula: | C28H36N2O2 |
Canonical SMILES: | CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2C(=O)[O-])C3=C(C=CC=C3C(C)C)C(C)C |
InChI: | InChI=1S/C28H36N2O2/c1-17(2)21-11-9-12-22(18(3)4)25(21)29-15-16-30(27(29)28(31)32)26-23(19(5)6)13-10-14-24(26)20(7)8/h9-20H,1-8H3 |
InChI Key: | YJFHWSQOLOIECF-UHFFFAOYSA-N |
Melting Point: | >168°C (dec.) |
Solubility: | Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Slightly, Heated), Meth |
Appearance: | Off-White to Pale Beige Solid |
Storage: | -20°C, Hygroscopic |
References: | Marion, R., et al. Inorg. Chem., 53, 9181 (2014); Buchanan, C.M., et al. Clin. Sci., 122, 449 (2012); Fruh, M., et al. Clin. Lung. Cancer., 14, 34 (2013). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020216600-A1 | Catalyst for dissociation of blocking agent for blocked isocyanates, and thermosetting composition containing said catalyst for dissociation of blocking agent | 20170929 |
EP-3689931-A1 | Catalyst for dissociation of blocking agent for blocked isocyanates, and thermosetting composition containing said catalyst for dissociation of blocking agent | 20170929 |
EP-3164527-A1 | Synthesis and use of bio-based imidazolium carboxylates | 20140703 |
WO-2016001436-A1 | Synthesis and use of bio-based imidazolium carboxylates | 20140703 |
US-2011140307-A1 | Method of making polylactic acid and its products | 20080901 |
US-2011144296-A1 | Ring-opening polymerization of cyclic compounds catalyzed by carbene derivatives | 20080901 |
US-2011152493-A1 | Method of making polylactic acid using carbene derivatives as the catalyst | 20080901 |
US-8241545-B2 | Method of making polylactic acid and its products | 20080901 |
US-9029497-B2 | Method of making polylactic acid using carbene derivatives as the catalyst | 20080901 |
EP-2051955-B1 | Production of alpha hydroxy ketones via carbene catalyzed pole reversal reaction of aldehydes | 20060818 |
Complexity: | 533 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 432.277678395 |
Formal Charge: | 0 |
Heavy Atom Count: | 32 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 432.277678395 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 48.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 8.5 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS