(R)-Tol-BINAP

• CAS: 99646-28-3
• Catalog Number: ACM99646283
• Category: Other Products
• Molecular Weight: 678.796g/mol
• Molecular Formula: C48H40P2
• IUPAC Name: [1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane
• Canonical SMILES: CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=C(C=C7)C)C8=CC=C(C=C8)C
• InChI: InChI=1S/C48H40P2/c1-33-13-23-39(24-14-33)49(40-25-15-34(2)16-26-40)45-31-21-37-9-5-7-11-43(37)47(45)48-44-12-8-6-10-38(44)22-32-46(48)50(41-27-17-35(3)18-28-41)42-29-19-36(4)20-30-42/h5-32H,1-4H3
• InChI Key: IOPQYDKQISFMJI-UHFFFAOYSA-N
• Application: Useful ligand for palladium-catalyzed carbon-oxygen bond formation.; ; Ligand for palladium-catalyzed α-arylation of ketones.; ; Ligand for Cu-catalyzed asymmetric conjugate reduction.; ; Ligand for Cu-catalyzed asymmetric dienolate addition to aldehydes.; ; Enantioselective conjugate reduction of lactones and lactams.; ; Ligand used in the enantioselective cycloaddition of allenylsilanes with α-Imino esters.; ; Catalytic Aldol reaction to ketones.; ; Ligand with rhodium catalyses [2+2+2] cycloaddition reaction of alkenes and alkynes.; ; Ligand used in the copper-catalyzed asymmetric conjugate addition of alkyl Grignard reagents on α,β-unsaturated esters.; ; Ligand used in the copper-catalyzed asymmetric synthesis of cyclopropanes via tandem conjugate addition and intramolecular enolate trapping.
• Complexity: 897
• Covalently-Bonded Unit Count: 1
• Exact Mass: 678.261g/mol
• Heavy Atom Count: 50
• Monoisotopic Mass: 678.261g/mol
• Rotatable Bond Count: 7
• Topological Polar Surface Area: 0A^2

Custom Q&A

What is the molecular formula of (R)-Tol-BINAP?

The molecular formula of (R)-Tol-BINAP is C48H40P2.

When was (R)-Tol-BINAP first created and last modified?

(R)-Tol-BINAP was first created on September 13, 2005, and last modified on December 30, 2023.

What is the IUPAC name of (R)-Tol-BINAP?

The IUPAC name of (R)-Tol-BINAP is [1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane.

What is the molecular weight of (R)-Tol-BINAP?

The molecular weight of (R)-Tol-BINAP is 678.8 g/mol.

What is the Canonical SMILES of (R)-Tol-BINAP?

The Canonical SMILES of (R)-Tol-BINAP is CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=C(C=C7)C)C8=CC=C(C=C8)C.

How many rotatable bond counts does (R)-Tol-BINAP have?

(R)-Tol-BINAP has 7 rotatable bond counts.

What is the XLogP3-AA value of (R)-Tol-BINAP?

The XLogP3-AA value of (R)-Tol-BINAP is 12.9.

Does (R)-Tol-BINAP have any hydrogen bond donor or acceptor counts?

(R)-Tol-BINAP has 0 hydrogen bond donor and acceptor counts.

What is the exact mass and monoisotopic mass of (R)-Tol-BINAP?

The exact mass and monoisotopic mass of (R)-Tol-BINAP is 678.26052527 g/mol.

How many heavy atoms does (R)-Tol-BINAP contain?

(R)-Tol-BINAP contains 50 heavy atoms.

When was (R)-Tol-BINAP first created?

(R)-Tol-BINAP was first created on September 13, 2005.

What is the InChIKey of (R)-Tol-BINAP?

The InChIKey of (R)-Tol-BINAP is IOPQYDKQISFMJI-UHFFFAOYSA-N.

How many atom in total does (R)-Tol-BINAP contain?

(R)-Tol-BINAP contains a total of 50 atoms.

How many rotatable bonds does (R)-Tol-BINAP have?

(R)-Tol-BINAP has 7 rotatable bonds.

What is the formal charge of (R)-Tol-BINAP?

The formal charge of (R)-Tol-BINAP is 0.

How many hydrogen bond donor counts does (R)-Tol-BINAP have?

(R)-Tol-BINAP has 0 hydrogen bond donor counts.