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2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl

2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl

Inquiry

Molecular Formula:

C29H45P

Molecular Weight:

424.64

CAS Number:

564483-19-8

Catalog Number:

564483-19-8

Product Information

Molecular Formula:

C29H45P

Molecular Weight:

424.64

Description

tBuXPhos has been used in the preparation of [tBuXPhosAu(MeCN)]BAr4F, a gold catalyst for the intermolecular [2+2] cycloaddition of terminal arylalkynes with substituted alkenes to form functionalized cyclobutenes with high regioselectivity. tBuXPhos is a ligand for Pd-catalyzed C-O and C-N bond formation.It can be used in the following reactions: Palladium-catalyzed Tsuji-Trost substitution and cross-coupling of benzylic fluorides; Palladium-catalyzed C-N cross-coupling of sulfinamides and aryl halides; Palladium-catalyzed rapid methoxylation and deuteriomethoxylation of bromo-chalcones.

Synonyms

ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphine; ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane

IUPAC Name

ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane

Canonical SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C(C)(C)C)C(C)(C)C)C(C)C

InChI

InChI=1S/C29H45P/c1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12/h13-21H,1-12H3

InChI Key

SACNIGZYDTUHKB-UHFFFAOYSA-N

Boiling Point

493.479 °C at 760 mmHg

Melting Point

148-151 °C (lit.)

Flash Point

Not applicable

Purity

98 %

LogP

9.42800

Safety Information

Precautionary Statement

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501

Signal Word

Warning

Computed Properties

XLogP3

8.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

424.32588843 g/mol

Monoisotopic Mass

424.32588843 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

486

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

Publication Number	Title	Priority Date
CN-114085184-A	Biphenyl derivative containing cyclopropane structure and preparation method and application thereof	2021-11-17
CN-113735908-A	Spiro-dihydrobenzothiole phosphate compound, and synthesis method and application thereof	2021-08-05
CN-113173830-A	Synthesis method of 1, 1-difluoro-2-propylene hydrocarbon compound	2021-05-10
CN-113173939-A	Method for synthesizing tri-substituted alkenyl borate through copper-catalyzed three-component reaction	2021-04-01
CN-112778267-A	Thiophene-3 (2H) -ketone compound and synthetic method thereof	2020-12-31
CN-113845478-A	Intermediate, preparation method and application thereof	2020-12-18
JP-2021035987-A	Pest control method	2020-11-16
JP-2021035988-A	Plant pathogenic microorganism control composition and plant pathogenic microorganism control method	2020-11-16
WO-2022049134-A1	Heterocyclic compounds	2020-09-03
WO-2022046861-A1	Modulators of myc family proto-oncogene protein	2020-08-26

Literatures

PMID	Publication Date	Title	Journal
22412647	2012-03-01	(R)-N-(3-Meth-oxy-phen-yl)-tert-butane-sulfinamide	Acta crystallographica. Section E, Structure reports online

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