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4,4,5,5-Tetramethyl-1,3,2-dioxaphospholane 2-oxide

4,4,5,5-Tetramethyl-1,3,2-dioxaphospholane 2-oxide

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Molecular Formula:

C6H13O3P

Molecular Weight:

164.14

CAS Number:

16352-18-4

Catalog Number:

16352-18-4

Product Information

Molecular Formula:

C6H13O3P

Molecular Weight:

164.14

Description

• Preligand in palladium-catalyzed Kumada cross-coupling reactions of aryl tosylates with Grignard reagents• Catalyst for reversible chain transfer polymerizationsReactant for:• Synthesis of oxapalladacycle as catalyst for Markovnikov-type addition• Preparation of palladium(II) complexes as catalysts for Heck cross-coupling reactions• Preparation of palladium catalysts for asymmetric hydrogenation of a-keto phosphonates • Hydrophosphorylation of alkenes, dienes and enynes in the presence of rhodium catalysts
Air-stable preligand for Pd-catalyzed Kumada-type cross-couplings.

Synonyms

2-Oxo-4,4,5,5-tetramethyl-1,3,2-dioxaphospholane, 4,4,5,5-Tetramethyl-1,3,2-dioxaphospholan-2-ol, HASPO-1, Phosphonic acid pinacol ester, Pinacol phosphonate

IUPAC Name

4,4,5,5-tetramethyl-1,3,2-dioxaphospholan-2-ium 2-oxide

Canonical SMILES

CC1(C(O[P+](=O)O1)(C)C)C

InChI

InChI=1S/C6H12O3P/c1-5(2)6(3,4)9-10(7)8-5/h1-4H3/q+1

InChI Key

MWVBQXVOGPKEII-UHFFFAOYSA-N

Melting Point

99-106 °C

Purity

95%

Safety Information

Hazards

H312-H319

Precautionary Statement

P280-P305 + P351 + P338

Computed Properties

XLogP3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

163.05240624 g/mol

Monoisotopic Mass

163.05240624 g/mol

Topological Polar Surface Area

35.5Å²

Heavy Atom Count

Formal Charge

Complexity

156

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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4,4,5,5-Tetramethyl-1,3,2-dioxaphospholane 2-oxide

Product Information

Safety Information

Computed Properties

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