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1,3,5-Triaza-7-phosphaadamantane

Catalog Number
ACM53597696-2
Product Name
1,3,5-Triaza-7-phosphaadamantane
Structure
1,3,5-Triaza-7-phosphaadamantane
CAS
53597-69-6
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Synonyms
1,3,5-Triaza-7-phosphatricyclo[3.3.1.13.7]decane; PTA
IUPAC Name
1,3,5-triaza-7-phosphatricyclo[3.3.1.13,7]decane
Molecular Weight
157.15
Molecular Formula
C6H12N3P
InChI
FXXRPTKTLVHPAR-UHFFFAOYSA-N
InChI Key
InChI=1S/C6H12N3P/c1-7-2-9-3-8(1)5-10(4-7)6-9/h1-6H2
Boiling Point
232.5±40.0 °C(Predicted)
Melting Point
244-250 °C
Purity
97%
Appearance
Solid
Complexity
123
Covalently-Bonded Unit Count
1
Exact Mass
157.077g/mol
H-Bond Acceptor
3
Heavy Atom Count
10
Isomeric SMILES
C1N2CN3CN1CP(C2)C3
Monoisotopic Mass
157.077g/mol
NSC Number
266642
Topological Polar Surface Area
9.7A^2
Application
Air-stable, water-soluble version of trimethylphosphine.

Reagent used in the β-olefination of 2-alkynoates leading to trisubstituted 1,3-dienes.

Ligand/rhodium catalyst used in the branch selective allylation of acetylacetone.

Ligand/oxorhenium complex used as a catalyst for the Baeyer-Villiger oxidation of ketones.
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