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

• Catalog Number: ACM282109835-1
• Product Name: 1,3-Bis(2,6-Diisopropylphenyl)-4,5-Dihydroimidazolium Tetrafluoroborate
• CAS: 282109-83-5
• Category: Organic Phosphine Compounds
• 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
• 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
• H-Bond Acceptor: 5
• 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

Custom Q&A

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

The molecular formula is C27H39BF4N2.

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

The molecular weight is 478.4 g/mol.

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

The InChI is 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.

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

The InChIKey is KFZBJQUHHALFSR-UHFFFAOYSA-N.

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

The CAS number is 282109-83-5.

What is the European Community (EC) Number of 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydroimidazolium tetrafluoroborate?

The European Community (EC) Number is 625-294-3.

What is the molecular weight of 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium?

The molecular weight is not provided in the reference.

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

The formal charge is 0.