2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl

Product Information

Molecular Formula:
C30H43O2P
Molecular Weight:
466.63
Description
Bulky phosphine ligand used in a palladium-catalyzed cross-coupling of aminoethyltrifluoroborates with electron-poor aryl bromides.
Synonyms
dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphine; dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane
IUPAC Name
dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane
Canonical SMILES
CC(C)OC1=C(C(=CC=C1)OC(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4
InChI
InChI=1S/C30H43O2P/c1-22(2)31-27-19-13-20-28(32-23(3)4)30(27)26-18-11-12-21-29(26)33(24-14-7-5-8-15-24)25-16-9-6-10-17-25/h11-13,18-25H,5-10,14-17H2,1-4H3
InChI Key
MXFYYFVVIIWKFE-UHFFFAOYSA-N
Boiling Point
551.7 °C at 760 mmHg
Melting Point
123-126 °C
Purity
98 %
LogP
8.70060

Safety Information

Precautionary Statement
P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501
Signal Word
Warning

Computed Properties

XLogP3
8.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
8
Exact Mass
466.30006761 g/mol
Monoisotopic Mass
466.30006761 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
33
Formal Charge
0
Complexity
516
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
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CN-113636970-A Isoindolone compound, preparation method and application thereof 2021-09-13
CN-113387876-A Nickel-catalyzed direct reduction cross-coupling method for heterocyclic phosphonium salt and aryl bromide and product 2021-07-21
CN-113480416-A Preparation method of aryl ketone 2021-07-12
CN-113354552-A Synthetic method of V-type organic ligand, synthesized V-type organic ligand and application thereof 2021-06-30
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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