Bis(tri-tert-butylphosphine)palladium(0), Pd

Inquiry

Molecular Formula:

Pd[P(C4H9)3]2

Molecular Weight:

511.05

CAS Number:

53199-31-8

Catalog Number:

53199-31-8

Product Information

Molecular Formula:

Pd[P(C4H9)3]2

Molecular Weight:

511.05

Description

• Catalyst for Suzuki coupling on a multisubstituted sp3-carbon (eq. 1)• Catalyst for Stille coupling reaction of aryl chlorides (eq. 2)• Catalyst for Negishi coupling reaction (eq. 3)• Catalyst for Heck coupling to form tetrasubstituted olefins (eq. 4)• Catalyst for Buchwald-Hartwig amination of aryl halide (eq. 5)• Catalyst for carbonylation of aryl halides with carbamoylsilanes (eq. 6)
Catalyst for greener Heck reaction in TPGS-750-M.On the Way Towards Greener Transition-Metal-Catalyzed Processes as Quantified by E Factors

Synonyms

Pd(t-Bu3P)2

IUPAC Name

palladiumtritert-butylphosphane

Canonical SMILES

CC(C)(C)P(C(C)(C)C)C(C)(C)C.CC(C)(C)P(C(C)(C)C)C(C)(C)C.[Pd]

InChI

InChI=1S/2C12H27P.Pd/c2*1-10(2,3)13(11(4,5)6)12(7,8)9/h2*1-9H3

InChI Key

MXQOYLRVSVOCQT-UHFFFAOYSA-N

Boiling Point

229.4°C at 760mmHg

Melting Point

>300°C

Flash Point

94.6°C

Purity

95%

Appearance

Off white crystalline solid

Application

Introduced as an easier to handle Pd/P(t-Bu)3-based catalyst for the Negishi cross-coupling of aryl/vinyl chlorides.

A versatile catalyst for the cross-coupling of aryl and vinyl chlorides.

Catalyst for the amination of aryl chlorides and bromides using aqueous hydroxide bases.

Useful catalyst for the cross-coupling of heteroaromatic carboxylic acids.

Pd-catalyzed Newnan-Kwart rearrangement of O-aryl thiocarbamates.

Cross-coupling of silanolates and halides.

Elimination/isomerization of enol triflates derived from β-ketoesters.

Storage

Freezer

LogP

9.72760

Safety Information

Hazards

P262

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

510.27356 g/mol

Monoisotopic Mass

510.27356 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

128

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

Patents

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JP-2021165297-A	Pest control method	2021-07-02
CN-113336751-A	High-efficiency salt-induced kinase inhibitor and preparation method thereof	2021-05-31
CN-113264917-A	Anti-hepatitis B virus compound and preparation method and application thereof	2021-05-28

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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