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

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

Inquiry

Molecular Formula:

C16H21O3P

Molecular Weight:

CAS Number:

97739-46-3

Catalog Number:

97739-46-3

Product Information

Molecular Formula:

C16H21O3P

Molecular Weight:

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

292.12283153 g/mol

Monoisotopic Mass

292.12283153 g/mol

Topological Polar Surface Area

27.7Å²

Heavy Atom Count

Formal Charge

Complexity

407

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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

Product Information

Computed Properties

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