2,2,2-Triphenylacetophenone - ≥99% , CAS No.466-37-5

CAS: 466-37-5 Cat. No.: T161577 Formula: C₂₆H₂₀O Molecular Weight: 348.45 Beilstein Registry Number: 7(4)1919 PubChem CID: 68049

GRADE & PURITY ≥99%

Synonyms

1,2,2,2-tetra(phenyl)ethanone | 1,2,2,2-tetraphenylethan-1-one | Phenyl trityl ketone | SCHEMBL1508202 | 1,2,2,2-Tetraphenyl-1-ethanone | 2,2,2-Triphenylacetophenone | 1,2,2,2-Tetraphenylethanone | CFBBKHROQRFCNZ-UHFFFAOYSA- | Benzopinacolone | Ethanone,

Storage

Room temperature

Shipped In

Normal

Overview

Product description：

Asymmetric reduction of 2,2,2-triphenylacetophenone using with potassium 9-O-(1,2: 5, 6-di-O-isopropylidene-α-D-glucofuranosyl)-9-boratabicyclo [3.3.1] nonane (chiral reducing agent) has been reported . Dehydrative cyclization of 2,2,2-triphenylacetophenone has been reported.

Specifications

Synonyms

1,2,2,2-tetra(phenyl)ethanone | 1,2,2,2-tetraphenylethan-1-one | Phenyl trityl ketone | SCHEMBL1508202 | 1,2,2,2-Tetraphenyl-1-ethanone | 2,2,2-Triphenylacetophenone | 1,2,2,2-Tetraphenylethanone | CFBBKHROQRFCNZ-UHFFFAOYSA- | Benzopinacolone | Ethanone,

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

Pubchem Sid

488184076

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184076

Canonical Smiles

C1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

IUPAC Name

1,2,2,2-tetraphenylethanone

InChIKey

CFBBKHROQRFCNZ-UHFFFAOYSA-N

INCHI

1S/C26H20O/c27-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

WGK Germany

3

PubChem CID

68049

Molecular Weight

348.45

Beilstein

7(4)1919

Reaxy-Rn

2058376

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Stilbenes Alkyl-phenylketones Benzoyl derivatives Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenyl compound - Stilbene - Alkyl-phenylketone - Phenylketone - Aryl alkyl ketone - Aryl ketone - Benzoyl - Monocyclic benzene moiety - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• 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

• Melt Point(°C): 184 °C
• Molecular Weight: 348.400 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 348.151 Da
• Monoisotopic Mass: 348.151 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 411.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 466-37-5, the molecular formula is C26H20O, and the molecular weight is 348.45 g/mol. InChIKey CFBBKHROQRFCNZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.