Di(tert-butyl)(2',4',6'-triisopropyl-3,6-dimethoxybiphenyl-2-yl)phosphine

Product Information

Molecular Formula:
C31H49O2P
Molecular Weight:
484.69
Description
Buchwald Phosphine Ligands for chemical Synthesis Common applications; Buchwald-Hartwig amination and C-O coupling; Suzuki, Negishi, Stille, Hiyama, Sonogashira cross-couplings; α-Arylation reactionNew Applications: Conversion of aryl and vinyl triflates to bromides and chlorides; Conversion of aryl triflates to aryl fluorides; O-Arylation of ethyl acetohydroximate; Conversion of aryl chlorides and sulfonates to nitroaromatics.
Synonyms
ditert-butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphine; ditert-butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
IUPAC Name
ditert-butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
Canonical SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C(C)(C)C)C(C)(C)C)OC)OC)C(C)C
InChI
InChI=1S/C31H49O2P/c1-19(2)22-17-23(20(3)4)27(24(18-22)21(5)6)28-25(32-13)15-16-26(33-14)29(28)34(30(7,8)9)31(10,11)12/h15-21H,1-14H3
InChI Key
REWLCYPYZCHYSS-UHFFFAOYSA-N
Melting Point
166-170 °C
Flash Point
Not applicable
Purity
97 %
LogP
9.44520

Safety Information

Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
8.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
9
Exact Mass
484.34701780 g/mol
Monoisotopic Mass
484.34701780 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
34
Formal Charge
0
Complexity
582
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-2022049146-A1 Pesticidally active heterocyclic derivatives with sulfur containing substituents 2020-09-02
WO-2022049141-A1 Pesticidally active heterocyclic derivatives with sulfur containing substituents 2020-09-01
WO-2022043576-A2 Pesticidally active heterocyclic derivatives with sulfur containing substituents 2020-08-31
WO-2022036177-A1 Antagonists of the muscarinic acetylcholine receptor m4 2020-08-13
WO-2022023337-A1 Substituted pyrrolo-pyridinone derivatives and therapeutic uses thereof 2020-07-29
WO-2022023339-A1 Aryl substituted pyrrolo-pyridinones and therapeutic uses thereof 2020-07-29
WO-2022023340-A1 Substituted heterocyclic compounds and therapeutic uses thereof 2020-07-29
WO-2021254529-A1 Bicyclic compound 2020-07-14
JP-2022014723-A Active energy ray polymerization initiator, active energy ray curable composition, active energy ray curable ink, ink container, image forming method and image forming apparatus. 2020-07-07
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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