1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene

Catalog Number	ACM244187813-2
CAS	244187-81-3
Structure
Synonyms	1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene
IUPAC Name	1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide
Molecular Weight	388.59
Molecular Formula	C27H36N2
Canonical SMILES	CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=[C-]2)C3=C(C=CC=C3C(C)C)C(C)C;
InChI	VYCIHDBIKGRENI-UHFFFAOYSA-N
InChI Key	InChI=1S/C27H36N2/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/h9-16,18-21H,1-8H3
Boiling Point	464.8 °C at 760 mmHg
Melting Point	213-217 °C
Purity	98%
Appearance	Beige powder
Complexity	503
Covalently-Bonded Unit Count	1
Exact Mass	388.288g/mol
Heavy Atom Count	29
Isomeric SMILES	CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=[C-]2)C3=C(C=CC=C3C(C)C)C(C)C
Monoisotopic Mass	388.288g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	6.2A^2

Q&A

What is the molecular weight of 1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene?

The molecular weight is 388.59.

What is the product category of 1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene?

It belongs to the N-heterocyclic carbene product category.

What is the melting point of 1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene?

The melting point is 213-217 °C.

Is 1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene soluble in Methanol?

Yes, it is soluble in Methanol.

What is the color of 1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene?

The color is white to off-white.

What is the InChIKey of 1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene?

The InChIKey is VYCIHDBIKGRENI-UHFFFAOYSA-N.

What is the storage temperature recommended for 1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene?

The recommended storage temperature is -20°C.

Is 1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene air sensitive and moisture sensitive?

Yes, it is both air and moisture sensitive.

What are some of the uses of 1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene?

It is used as a ligand for Pd complexes in amination reaction of aryl halides and in C-C bond formation reactions such as the Kumada-Tamao-Corriu reaction, Suzuki coupling, and Stille coupling.

How is 1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene commonly abbreviated?

It is commonly abbreviated as IPr.