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2-{Bis[3,5-bis(trifluoromethyl)phenyl]phosphino}-3,6-dimethoxy -2,4,6-triisopropyl-1,1-biphenyl

2-{Bis[3,5-bis(trifluoromethyl)phenyl]phosphino}-3,6-dimethoxy -2,4,6-triisopropyl-1,1-biphenyl

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Molecular Formula:

C39H37F12O2P

Molecular Weight:

796.66

CAS Number:

1160861-60-8

Catalog Number:

1160861-60-8

Product Information

Molecular Formula:

C39H37F12O2P

Molecular Weight:

796.66

Description

Catalyst for N-Arylation reactionsBuchwald Phosphine Ligands for chemical Synthesis
JackiePhos is a Buchwald's phosphine ligand which can be used for the:• glycosyl cross-coupling reaction of diaryliodonium triflates with anomeric stannanes to synthesize C-glycosides.• synthesis of gold-based catalyst complexes such as [Au(CH3CN)(JackiePhos)][SbF6] and [(JackiePhos)AuCl.• acylation of alkylcarbastannatranes.• synthesis of cyclic guanidines or cyclic ureas bearing dialkylaminomethyl groups in combination with Pd(acac)2 as a catalyst.

Synonyms

Bis(3,5-bis(trifluoromethyl)phenyl)(2,4,6- triisopropyl-3,6-dimethoxybiphenyl-2-yl)phosphine, JackiePhos

IUPAC Name

bis[3,5-bis(trifluoromethyl)phenyl]-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane

Canonical SMILES

CC(C)C1=CC(=C(C(=C1)C(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)C(C)C

InChI

InChI=1S/C39H37F12O2P/c1-19(2)22-11-29(20(3)4)33(30(12-22)21(5)6)34-31(52-7)9-10-32(53-8)35(34)54(27-15-23(36(40,41)42)13-24(16-27)37(43,44)45)28-17-25(38(46,47)48)14-26(18-28)39(49,50)51/h9-21H,1-8H3

InChI Key

KYTUFIMHJNRPLC-UHFFFAOYSA-N

Melting Point

186-190 °C

Flash Point

Not applicable

Purity

95%

Computed Properties

XLogP3

13.1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

796.2339554 g/mol

Monoisotopic Mass

796.2339554 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

1070

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

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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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2-{Bis[3,5-bis(trifluoromethyl)phenyl]phosphino}-3,6-dimethoxy -2,4,6-triisopropyl-1,1-biphenyl

Product Information

Computed Properties

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