1,3-Bis(2,6-Diisopropylphenyl)-4,5-Dihydroimidazolium Tetrafluoroborate

Catalog Number	ACM282109835-1
CAS	282109-83-5
Structure
Synonyms	1,3-Bis(2,6-Diisopropylphenyl)-4,5-Dihydro-1H-Imidazol-3-Ium Tetrafluoroborate
IUPAC Name	1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;tetrafluoroborate
Molecular Weight	478.40
Molecular Formula	C27H39BF4N2
Canonical SMILES	[B-](F)(F)(F)F.CC(C)C1=C(C(=CC=C1)C(C)C)N2CC[N+](=C2)C3=C(C=CC=C3C(C)C)C(C)C;
InChI	KFZBJQUHHALFSR-UHFFFAOYSA-N
InChI Key	InChI=1S/C27H39N2.BF4/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;2-1(3,4)5/h9-14,17-21H,15-16H2,1-8H3;/q+1;-1
Melting Point	>300 °C
Purity	98%
Appearance	White powder
Application	In-situ deprotonation leads to metal carbene species which acts as a catalyst in a variety of C-C and C-N bond forming reactions. Ligand used in the nickel or palladium-catalyzed coupling of aryl chlorides and amines. Ligand used for the palladium-catalyzed arylation of esters and amides. Ligand used for the palladium-catalyzed intermolecular amination of Csp3-H Bonds. Ligand used for the nickel-catalyzed hydrogenation of olefins.
Complexity	486
Covalently-Bonded Unit Count	2
Exact Mass	478.314g/mol
Heavy Atom Count	34
Isomeric SMILES	[B-](F)(F)(F)F.CC(C)C1=C(C(=CC=C1)C(C)C)N2CC[N+](=C2)C3=C(C=CC=C3C(C)C)C(C)C
Monoisotopic Mass	478.314g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	6.2A^2

Q&A

What is the molecular formula of 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydroimidazolium tetrafluoroborate?

The molecular formula is C27H39BF4N2.

What are the synonyms of 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydroimidazolium tetrafluoroborate?

Some synonyms include 282109-83-5 and 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium tetrafluoroborate.

When was 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydroimidazolium tetrafluoroborate created and last modified?

It was created on 2006-10-26 and last modified on 2023-11-25.

What is the IUPAC name for 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydroimidazolium tetrafluoroborate?

The IUPAC name is 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;tetrafluoroborate.

What is the Canonical SMILES for 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydroimidazolium tetrafluoroborate?

The Canonical SMILES is [B-](F)(F)(F)F.CC(C)C1=C(C(=CC=C1)C(C)C)N2CC[N+](=C2)C3=C(C=CC=C3C(C)C).

What is the molecular weight of 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydroimidazolium tetrafluoroborate?

The molecular weight is 478.4 g/mol.

How many hydrogen bond acceptor counts does 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydroimidazolium tetrafluoroborate have?

It has 5 hydrogen bond acceptor counts.

What is the topological polar surface area of 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydroimidazolium tetrafluoroborate?

The topological polar surface area is 6.2Ų.

How many rotatable bond counts does 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydroimidazolium tetrafluoroborate have?

It has 6 rotatable bond counts.

What is the CAS number for 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydroimidazolium tetrafluoroborate?

The CAS number is 282109-83-5.