2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl

• CAS: 564483-19-8
• Catalog Number: ACM564483198
• Category: Organic Phosphine Compounds
• Molecular Weight: 424.653g/mol
• Molecular Formula: C29H45P
• Synonyms: DTXSID70469549; t-Bu XPhos; FT-0689983; TC-121258; 2-Di-tert-butylphosphino-2 inverted exclamation marka,4 inverted exclamation marka,6 inverted exclamation marka-triisopropylbiphenyl; tBuXPhos; ditert-butyl-[2-(2,4,6-triisopropylphenyl)phenyl]phosphane; ZINC56961724; 2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl; 2-(di-tert-butylphosphino)-2', 4',6'-triisopropylbiphenyl
• IUPAC Name: ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
• Canonical SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C(C)(C)C)C(C)(C)C)C(C)C
• InChI: InChI=1S/C29H45P/c1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12/h13-21H,1-12H3
• InChI Key: SACNIGZYDTUHKB-UHFFFAOYSA-N
• Application: Effective ligand for the Pd-catalyzed arylation of pyrazoles, indazoles and amino heterocycles.; ; Ligand used in the Pd-catalyzed synthesis of phenols from aryl halides and KOH.; ; Ligand used in the Pd-catalyzed of benzoic acids from aryl halides and CO2.; ; Ligand used in the Pd-catalyzed trifluoromethylation of vinyl sulfonates.; ; Ligand used in the Pd-catalyzed arylation of nitroacetates.; ; Ligand used in the Pd-catalyzed Suzuki−Miyaura cross-coupling of allylboronates and aryl halides.; ; Ligand used in the Pd-catalyzed cyanation of (hetero)arylchlorides and bromides.; ; Ligand used in the Pd-catalyzed C-N cross coupling of sulfinamides and aryl halides.; ; Ligand used in the Pd-catalyzed arylation of cyanamides.
• Complexity: 486
• Covalently-Bonded Unit Count: 1
• Exact Mass: 424.326g/mol
• Heavy Atom Count: 30
• Monoisotopic Mass: 424.326g/mol
• Rotatable Bond Count: 7
• Topological Polar Surface Area: 0A^2

Custom Q&A

What is the molecular formula of 2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl?

The molecular formula is C29H47P.

When was 2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl created and modified?

It was created on November 30, 2012, and modified on December 30, 2023.

What is the IUPAC name of 2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl?

The IUPAC name is ditert-butyl-[2-phenyl-1,3,5-tri(propan-2-yl)cyclohexa-2,4-dien-1-yl]phosphane.

What is the Canonical SMILES representation of 2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl?

The Canonical SMILES is CC(C)C1=CC(=C(C(C1)(C(C)C)P(C(C)(C)C)C(C)(C)C)C2=CC=CC=C2)C(C)C.

What is the molecular weight of 2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl?

The molecular weight is 426.7 g/mol.

How many rotatable bonds are present in 2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl?

There are 7 rotatable bonds.

What is the topological polar surface area of 2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl?

The topological polar surface area is 0.2.

How many hydrogen bond donor counts are there in 2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl?

There are 0 hydrogen bond donor counts.

Is 2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl a canonicalized compound?

Yes, it is a canonicalized compound.

What is the XLogP3-AA value for 2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl?

The XLogP3-AA value is 7.1.