rac-BINAP-Pd-G3

Inquiry

Molecular Formula:

C57H45NO3P2PdS

Molecular Weight:

992.40

CAS Number:

2151915-22-7

Catalog Number:

2151915-22-7

Product Information

Molecular Formula:

C57H45NO3P2PdS

Molecular Weight:

992.40

Description

Pd precatalyst for cross-coupling

Synonyms

[2'-(diphenylphosphanyl)-[1,1'-binaphthalen]-2-yl]diphenylphosphane; {2'-amino-[1,1'-biphenyl]-2-yl}palladio methanesulfonate

IUPAC Name

[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanemethanesulfonic acidpalladium2-phenylaniline

Canonical SMILES

CS(=O)(=O)O.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.C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd]

InChI

InChI=1S/C44H32P2.C12H10N.CH4O3S.Pd/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)38-25-11-4-12-26-3813-12-9-5-4-8-11(12)10-6-2-1-3-7-101-5(2,3)4/h1-32H1-6,8-9H,13H21H3,(H,2,3,4)/q-1

InChI Key

YMXAISMYVLNYKD-UHFFFAOYSA-N

Melting Point

175-180 °C

Flash Point

Not applicable

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

992.17084 g/mol

Monoisotopic Mass

992.17084 g/mol

Topological Polar Surface Area

88.8Å²

Heavy Atom Count

Formal Charge

-1

Complexity

1250

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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rac-BINAP-Pd-G3

Product Information

Computed Properties

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