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1,3,5,7-Tetramethyl-6-phenyl-2,4,8-trioxa-6-phosphaadamantane

Catalog Number
ACM97739463
Product Name
1,3,5,7-Tetramethyl-6-phenyl-2,4,8-trioxa-6-phosphaadamantane
Structure
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CAS
97739-46-3
  • Product Overview
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Synonyms
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%; 97739-46-3; CTK5H9495; 1,3,5,7-TETRAMETHYL-6-PHENYL-2,4,8-TRIOXA-6-PHOSPHAADAMANTANE; DTXSID50699640; AVVSJWUWBATQBX-UHFFFAOYSA-N; KS-000018KV; 1,3,5,7-tetramethyl-2,4,8-trioxa-6-phospha-adamantane; MFCD10567051;
IUPAC Name
1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane;
Molecular Weight
292.315g/mol
Molecular Formula
C16H21O3P;
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;
Complexity
407
Covalently-Bonded Unit Count
1
Exact Mass
292.123g/mol
H-Bond Acceptor
3
Heavy Atom Count
20
Monoisotopic Mass
292.123g/mol
Rotatable Bond Count
1
Topological Polar Surface Area
27.7A^2
Undefined Atom Stereocenter Count
4
Application
1,3,5,7-Tetramethyl-6-phenyl-2,4,8-trioxa-6-phosphaadamantane serves as a versatile and efficient ligand, playing a crucial role in catalysis applications. Its bulky and electron-poor nature makes it highly effective in facilitating rhodium hydroformylation and palladium cross-coupling reactions. This compound is utilized to synthesize complexes that enhance hydroformylation catalysis and also acts as a catalyst in the production of dibenzo[b,f][1,4]oxazepin-11(10H)-ones and 3-methyl-3,4-dihydrocoumarins through intramolecular cyclocarbonylation. Its robust structure ensures stability and performance in demanding catalytic environments, offering significant improvements in reaction efficiencies.
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