JackiePhos Pd G3

Inquiry

Molecular Formula:

C52H50F12NO5PPdS

Molecular Weight:

1166.40

CAS Number:

2102544-35-2

Catalog Number:

2102544-35-2

Product Information

Molecular Formula:

C52H50F12NO5PPdS

Molecular Weight:

1166.40

Description

JackiePhos Pd G3 can be used as a palladium precatalyst in Stille cross-coupling reaction between organostannane and ary halides.

Synonyms

JackiePhos-Pd-G3,[(2-{Bis[3,5-bis(trifluoromethyl)phenyl]phosphine}-3,6-dimethoxy- 2',4',6'- triisopropyl-1,1'-biphenyl )-2-(2'-amino-1,1'-biphenyl)]palladium(II) methanesulfonate

IUPAC Name

bis[3,5-bis(trifluoromethyl)phenyl]-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanemethanesulfonic acidpalladium2-phenylaniline

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

InChI

InChI=1S/C39H37F12O2P.C12H10N.CH4O3S.Pd/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)5113-12-9-5-4-8-11(12)10-6-2-1-3-7-101-5(2,3)4/h9-21H,1-8H31-6,8-9H,13H21H3,(H,2,3,4)/q-1

InChI Key

VUXQLXUMYKLNDY-UHFFFAOYSA-N

Melting Point

195-197 °C (decomposition)

Flash Point

Not applicable

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

1166.20688 g/mol

Monoisotopic Mass

1166.20688 g/mol

Topological Polar Surface Area

107Å²

Heavy Atom Count

Formal Charge

-1

Complexity

1520

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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JackiePhos Pd G3

Product Information

Computed Properties

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