RockPhos

Product Information

Molecular Formula:
C31H49OP
Molecular Weight:
468.69
Description
RockPhos is a biphenyl-based phosphine ligand used with Pd(0) catalyst for carbon-carbon and carbon-heteroatom bond formation reactions.It can also be employed in the: • 2-fluroethoxylation of bromo-chalcones in the presence of palladium catalyst.• Conversion of aryl chlorides into aryl methoxides using RockPhos Pd G3 as a catalyst.
Synonyms
2-Di(tert-butyl)phosphino-2',4',6'-triisopropyl-3-methoxy-6-methylbiphenyl,Di-tert-butyl(2',4',6'-triisopropyl-3-methoxy-6-methyl-[1,1'-biphenyl]-2-yl)phosphine
IUPAC Name
ditert-butyl-[6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
Canonical SMILES
CC1=C(C(=C(C=C1)OC)P(C(C)(C)C)C(C)(C)C)C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C31H49OP/c1-19(2)23-17-24(20(3)4)28(25(18-23)21(5)6)27-22(7)15-16-26(32-14)29(27)33(30(8,9)10)31(11,12)13/h15-21H,1-14H3
InChI Key
CVLLAKCGAFNZHJ-UHFFFAOYSA-N
Melting Point
121-131 °C
Flash Point
Not applicable
Purity
97%

Computed Properties

XLogP3
8.8
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
8
Exact Mass
468.35210318 g/mol
Monoisotopic Mass
468.35210318 g/mol
Topological Polar Surface Area
9.2Ų
Heavy Atom Count
33
Formal Charge
0
Complexity
563
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
WO-2022056281-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof 2020-09-11
WO-2021203014-A1 Pyrano[4,3-b]l ndole derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd) 2020-04-03
WO-2021203023-A1 Indole derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd) 2020-04-03
WO-2021173917-A1 Inhibitors of receptor interacting protein kinase i for the treatment of disease 2020-02-28
WO-2021127499-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof 2019-12-18
WO-2021117767-A1 Method for producing nitrogen-containing heteroarylcarboxamide acetic acid derivative 2019-12-10
WO-2021105117-A1 Substituted aminoquinolones as dgkalpha inhibitors for immune activation 2019-11-28
CN-112830919-A Benzopiperidine derivatives as pharmaceutical agents and process for preparing them 2019-11-22
US-2021115065-A1 Compounds and compositions for the treatment of parasitic diseases 2019-10-21
WO-2021067670-A1 Process for preparing an activin receptor-like kinase inhibitor 2019-10-02
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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