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
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 |
