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1,3,5-Triaza-7-phosphaadamantane

CAS 53597-69-6C6H12N3PCatalysis & Inorganic

1,3,5-Triaza-7-phosphaadamantane (CAS 53597-69-6), with the molecular formula C6H12N3P and a molecular weight of 157.15 g/mol, is a unique phosphine ligand. This compound, often abbreviated as PTA, exhibits an adamantane-like cage structure. It finds application as a key ligand in homogeneous catalysis, facilitating a range of important organic transformations.

IUPAC
1,3,5-Triaza-7-phosphatricyclo[3.3.1.13.7]decane,NSC 266642,PTA
Synonyms
53597-69-6C6H12N3P1,3,5-Triaza-7-phosphatricyclo[3.3.1.13,7]decanePTANSC 266642
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1,3,5-Triaza-7-phosphaadamantane (C6H12N3P) — chemical structure, CAS 53597-69-6; Chemistry, fine chemical supplied by Tech Serve Solutions
Chemical SynthesisPhosphine CompoundsPhosphine Ligands
01 /Applications

Homogeneous Catalysis

As a phosphine ligand, 1,3,5-Triaza-7-phosphaadamantane is instrumental in stabilising and activating transition metal catalysts. It is widely employed in various catalytic reactions, including hydroformylations and hydrogenations.

Cross-Coupling Reactions

This ligand plays a significant role in palladium-catalysed cross-coupling reactions. Its application is well-documented in processes such as the Suzuki-Miyaura and Sonogashira couplings, enabling efficient carbon-carbon bond formation.

C-C Bond Formation

Beyond standard cross-couplings, 1,3,5-Triaza-7-phosphaadamantane is also a valuable ligand in other carbon-carbon bond-forming reactions, such as the Morita-Baylis-Hillman reaction.

02 /Properties
Molecular weight157.15
Empirical formulaC6H12N3P
Assay97%
Melting point244-250 °C
03 /Identifiers & registry
CAS number
53597-69-6
MDL number
MFCD00154905
04 /Additional specifications
Ligand ForHydroformylationsHydrogenationsMorita-Baylis-Hillman ReactionsSonogashira CouplingSuzuki-Miyaura Coupling
05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is 1,3,5-Triaza-7-phosphaadamantane used for?

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1,3,5-Triaza-7-phosphaadamantane is primarily used as a ligand in homogeneous catalysis for reactions including hydroformylations, hydrogenations, Morita-Baylis-Hillman reactions, Sonogashira coupling, and Suzuki-Miyaura coupling.

What is the CAS number and formula for 1,3,5-Triaza-7-phosphaadamantane?

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The CAS number is 53597-69-6, and the empirical formula (Hill notation) is C6H12N3P.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 1,3,5-Triaza-7-phosphaadamantane with a minimum assay of 97%. We do not represent this product as USP, BP, EP, or any pharmacopoeia grade.

What are the safety and handling precautions for 1,3,5-Triaza-7-phosphaadamantane?

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According to the Globally Harmonised System of Classification and Labelling of Chemicals (GHS), this compound is classified with Water Hazard Class 3 (WGK 3) in Germany, indicating it is hazardous to aquatic life. Always consult the Safety Data Sheet (SDS) for full details and appropriate personal protective equipment.

How is 1,3,5-Triaza-7-phosphaadamantane packed, shipped, and exported?

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Tech Serve Solutions professionally packs, ships, and exports fine chemicals globally, adhering to all relevant transport regulations.

How can I request a quote or sample of 1,3,5-Triaza-7-phosphaadamantane?

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To request a quote or a sample, please use the online contact form or contact our sales department directly, referencing the product name and CAS number 53597-69-6.

Need 1,3,5-Triaza-7-phosphaadamantane in a specific grade or volume?