2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

• Catalog Number: ACM98327878
• Product Name: 2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl
• CAS: 98327-87-8
• Category: Organic Phosphine Compounds
• Synonyms: F0001-2326; DB-009478; AC1LCPMX; (S)-2,2'-BIS(DIPHENYLPHOSPHINO)-1,1'-BINAPHTHYL; AN-10356; SC-19338; (S)-(-)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthalene, puriss.; PubChem8136; TL8005203; (S)-(-)-2,2 inverted exclamation mark -Bis(diphenylphosphino)-1,1 inverted exclamation mark -binaphthalene
• IUPAC Name: [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
• Molecular Weight: 622.688g/mol
• Molecular Formula: C44H32P2
• Canonical SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8
• InChI: InChI=1S/C44H32P2/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H
• InChI Key: MUALRAIOVNYAIW-UHFFFAOYSA-N
• Application: Phosphine Ligand Kit component.; ; ; ; ; ; Useful ligand for palladium-catalyzed carbon-nitrogen bond formation.; ; Useful ligand for rhodium-catalyzed C-C bond formation.; ; Useful ligand for palladium-catalyzed intramolecular acylation of aryl bromides via C-H activation.; ; Used in the preparation of Buchwald third generation precatalyst.; ; Used in methoxy directed Rhodium migration.; ; Used in Nickel catalyzed C-N cross-coupling reactions.
• Complexity: 797
• Covalently-Bonded Unit Count: 1
• EC Number: 616-304-7
• Exact Mass: 622.198g/mol
• Heavy Atom Count: 46
• Monoisotopic Mass: 622.198g/mol
• Rotatable Bond Count: 7
• Topological Polar Surface Area: 0A^2
• UNII: 4F1X2F8NA3

Custom Q&A

What is the molecular formula of 2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl?

The molecular formula is C44H34P2.

What is the molecular weight of 2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl?

The molecular weight is 624.7 g/mol.

What is the IUPAC name of 2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl?

The IUPAC name is (2-diphenylphosphanyl-1-naphthalen-1-yl-3H-naphthalen-2-yl)-diphenylphosphane.

What is the InChI of 2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl?

The InChI is InChI=1S/C44H34P2/c1-5-21-36(22-6-1)45(37-23-7-2-8-24-37)44(46(38-25-9-3-10-26-38)39-27-11-4-12-28-39)33-32-35-19-14-16-30-41(35)43(44)42-31-17-20-34-18-13-15-29-40(34)42/h1-32H,33H2.

What is the InChIKey of 2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl?

The InChIKey is SYSFTTYJTWPOOR-UHFFFAOYSA-N.

What is the canonical SMILES of 2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl?

The canonical SMILES is C1C=C2C=CC=CC2=C(C1(P(C3=CC=CC=C3)C4=CC=CC=C4)P(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC8=CC=CC=C87.

What is the XLogP3-AA value of 2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl?

The XLogP3-AA value is 10.1.

How many hydrogen bond donor count does 2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl have?

It has 0 hydrogen bond donor count.

How many hydrogen bond acceptor count does 2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl have?

It has 0 hydrogen bond acceptor count.

How many rotatable bond count does 2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl have?

It has 7 rotatable bond count.