2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl
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
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
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
7
Exact Mass
424.32588843 g/mol
Monoisotopic Mass
424.32588843 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
486
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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 |
