1,3,5,7-Tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphaadamantane - ≥98% , CAS No.97739-46-3

CAS: 97739-46-3 Cat. No.: T282125 Molecular Weight: 292.31 EC Number: 814-805-7 PubChem CID: 53427790

GRADE & PURITY ≥98%

Synonyms

SCHEMBL482912 | 1,3,5,7-TETRAMETHYL-6-PHENYL-2,4,8-TRIOXA-6-PHOSPHAADAMANTANE | 1,3,5,7-tetramethyl-6-phenyl-2,4,8-trioxa-6-phospha-adamantane | 1,3,5,7-tetramethyl-2,4,8-trioxa-6-phenyl-6-phosphaadamantane | meCgPPh | 1,3,5,7-Tetramethyl-8-phenyl-2,4,6-t

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

SCHEMBL482912 | 1, 3, 5, 7-TETRAMETHYL-6-PHENYL-2, 4, 8-TRIOXA-6-PHOSPHAADAMANTANE | 1, 3, 5, 7-tetramethyl-6-phenyl-2, 4, 8-trioxa-6-phospha-adamantane | 1, 3, 5, 7-tetramethyl-2, 4, 8-trioxa-6-phenyl-6-phosphaadamantane | meCgPPh | 1, 3, 5, 7-Tetramethyl-8-phenyl-2, 4, 6-t

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488201628
• Canonical Smiles: CC12CC3(OC(O1)(CC(O2)(P3C4=CC=CC=C4)C)C)C
• IUPAC Name: 1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane
• InChIKey: AVVSJWUWBATQBX-UHFFFAOYSA-N
• 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
• Isomeric SMILES: CC12CC3(OC(O1)(CC(O2)(P3C4=CC=CC=C4)C)C)C
• WGK Germany: 3
• PubChem CID: 53427790
• Molecular Weight: 292.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers
        • Level5 Acetals
          • Level6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: Benzene and substituted derivatives 1,3-dioxanes Organic phosphines and derivatives Phosphacyclic compounds Oxacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Ketal - Benzenoid - Monocyclic benzene moiety - Meta-dioxane - Phosphine - Phosphacycle - Oxacycle - Organoheterocyclic compound - Organopnictogen compound - Hydrocarbon derivative - Organophosphorus compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: air sensitive, moisture sensitive
• Molecular Weight: 292.310 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 292.123 Da
• Monoisotopic Mass: 292.123 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 407.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1