meCgPPh, 1,3,5,7-Tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane

Product Information

Molecular Formula:
C16H21O3P
Description
1,3,5,7-Tetramethyl-6-phenyl-2,4,8-trioxa-6-phosphaadamantane can be used:• As a ligand to synthesize complexes for hydroformylation catalysis.• To catalyze the synthesis of dibenzo[b,f][1,4]oxazepin-11(10H)-ones and 3-methyl-3,4-dihydrocoumarins by intramolecular cyclocarbonylation.
Synonyms
1,3,5,7-Tetramethyl-6-phenyl-2,4,8-trioxa-6-phosphaadamante; meCgPPh, 1,3,5,7-Tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane; 1,3,5,7-Tetramethyl-6-phenyl-2,4,8-trioxa-6-phosphaadamantane, 99%
IUPAC Name
1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane
Canonical SMILES
CC12CC3(OC(O1)(CC(O2)(P3C4=CC=CC=C4)C)C)C
InChI
InChI=1S/C16H21O3P/c1-13-10-15(3)19-14(2,17-13)11-16(4,18-13)20(15)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3
InChI Key
AVVSJWUWBATQBX-UHFFFAOYSA-N
Melting Point
106-111 °C
Flash Point
Not applicable
Purity
97%

Computed Properties

XLogP3
2.5
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
292.12283153 g/mol
Monoisotopic Mass
292.12283153 g/mol
Topological Polar Surface Area
27.7Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
407
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
4
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
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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