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Bis(3,5-bis(trifluoromethyl)phenyl)(2',6'-bis(isopropoxy)-3,6-dimethoxybiphenyl-2-yl)phosphine

Bis(3,5-bis(trifluoromethyl)phenyl)(2',6'-bis(isopropoxy)-3,6-dimethoxybiphenyl-2-yl)phosphine

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Molecular Formula:

C36H31F12O4P

Molecular Weight:

786.58

CAS Number:

1810068-31-5

Catalog Number:

1810068-31-5

Product Information

Molecular Formula:

C36H31F12O4P

Molecular Weight:

786.58

Description

Bis(3,5-bis(trifluoromethyl)phenyl)(2',6'-bis(isopropoxy)-3,6-dimethoxybiphenyl-2-yl)phosphine is the Pd G4 complex from the Buchwald

Synonyms

2-{Bis[3,5-bis(trifluoromethyl)phenyl]phosphino}-3,6-dimethoxy-2',6'-bis(isopropoxy)-1,1'-biphenyl

IUPAC Name

bis[3,5-bis(trifluoromethyl)phenyl]-[2-[2,6-di(propan-2-yloxy)phenyl]-3,6-dimethoxyphenyl]phosphane

Canonical SMILES

CC(C)OC1=C(C(=CC=C1)OC(C)C)C2=C(C=CC(=C2P(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)OC)OC

InChI

InChI=1S/C36H31F12O4P/c1-18(2)51-27-8-7-9-28(52-19(3)4)30(27)31-26(49-5)10-11-29(50-6)32(31)53(24-14-20(33(37,38)39)12-21(15-24)34(40,41)42)25-16-22(35(43,44)45)13-23(17-25)36(46,47)48/h7-19H,1-6H3

InChI Key

XEACOTDENIXQLW-UHFFFAOYSA-N

Flash Point

Not applicable

Purity

≥95%

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

XLogP3

11.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

786.1768344 g/mol

Monoisotopic Mass

786.1768344 g/mol

Topological Polar Surface Area

36.9Å²

Heavy Atom Count

Formal Charge

Complexity

1030

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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Bis(3,5-bis(trifluoromethyl)phenyl)(2',6'-bis(isopropoxy)-3,6-dimethoxybiphenyl-2-yl)phosphine

Product Information

Safety Information

Computed Properties

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