2-Dicyclohexylphosphino-2,4,6-trimethoxybiphenyl

Product Information

Molecular Formula:
C27H37O3P
Molecular Weight:
440.55
Description
Catalyst for Suzuki-Miyaura cross-coupling of Ph tosylates with potassium (phenyl)trifuoroborates
Synonyms
Dicyclohexyl(2,4,6-trimethoxy[1,1-biphenyl]-2-yl)-phosphine
IUPAC Name
dicyclohexyl-[2-(2,4,6-trimethoxyphenyl)phenyl]phosphane
Canonical SMILES
COC1=CC(=C(C(=C1)OC)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)OC
InChI
InChI=1S/C27H37O3P/c1-28-20-18-24(29-2)27(25(19-20)30-3)23-16-10-11-17-26(23)31(21-12-6-4-7-13-21)22-14-8-5-9-15-22/h10-11,16-19,21-22H,4-9,12-15H2,1-3H3
InChI Key
NTHFAYYJLKWDAE-UHFFFAOYSA-N
Melting Point
148-158 °C
Purity
97%

Safety Information

Hazards
H413

Computed Properties

XLogP3
6.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
7
Exact Mass
440.24803204 g/mol
Monoisotopic Mass
440.24803204 g/mol
Topological Polar Surface Area
27.7Ų
Heavy Atom Count
31
Formal Charge
0
Complexity
485
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

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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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