2-(Triphenylphosphoranylidene)propionaldehyde - ≥98% , CAS No.24720-64-7

CAS: 24720-64-7 Cat. No.: T168996 Molecular Weight: 318.35 PubChem CID: 4280987

GRADE & PURITY ≥98%

Synonyms

VHUQEFAWBCDBSC-UHFFFAOYSA-N | Propanal, 2-(triphenylphosphoranylidene)- | FT-0765452 | 2-(triphenylphosphanylidene)-propionaldehyde | DTXSID70401520 | 1-formylethylidene(triphenyl)phosphorane | 2-(Triphenylphosphoranylidene)propanal | STL556317 | 2-(Triph

Storage

Room temperature

Shipped In

Normal

Overview

Reactant for: · Preparation of acitretin analogs with antitumor activity · Stereoselective synthesis of essential building blocks of phorboxazole A via hetero Diels-Alder and stereoselective hetero-Michael addition/equilibration · Preparation of C1-C14 fragment of sarcoglaucol-16-one via Z-selective ando-type Horner-Wadsworth-Emmons olefination · Wittig reactions · Synthesis of ring-expanded and epothilone-hybridized macrosphelide analogs as apoptosis-inducing agents · Preparation of phosphonic acid-containing analogs of mycophenolic acid as inhibitors of IMPDH

Specifications

Synonyms

VHUQEFAWBCDBSC-UHFFFAOYSA-N | Propanal, 2-(triphenylphosphoranylidene)- | FT-0765452 | 2-(triphenylphosphanylidene)-propionaldehyde | DTXSID70401520 | 1-formylethylidene(triphenyl)phosphorane | 2-(Triphenylphosphoranylidene)propanal | STL556317 | 2-(Triph

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488194797
• Canonical Smiles: CC(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C=O
• IUPAC Name: 2-(triphenyl-λ5-phosphanylidene)propanal
• InChIKey: VHUQEFAWBCDBSC-UHFFFAOYSA-N
• INCHI: 1S/C21H19OP/c1-18(17-22)23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-17H,1H3
• Isomeric SMILES: CC(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C=O
• WGK Germany: 3
• PubChem CID: 4280987
• Molecular Weight: 318.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylphosphines and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Organophosphorus compounds Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Carbonyl group - Aldehyde - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl group.
• 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): 219-221°C
• Molecular Weight: 318.300 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 318.117 Da
• Monoisotopic Mass: 318.117 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 382.000
• 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