Woollins' Reagent - ≥95% , CAS No.122039-27-4

CAS: 122039-27-4 Cat. No.: W334667 Molecular Weight: 532.00 EC Number: 627-200-6 PubChem CID: 5066075

GRADE & PURITY ≥95%

Synonyms

2,4-Diphenyl-1,3,2,4-diselenadiphosphetane 2,4-diselenide | 2,4-diphenyl-2,4-bis(selanylidene)-1,3,2lambda5,4lambda5-diselenadiphosphetane | DTXSID60407970 | UNII-75551CT912 | J-004752 | 1,3,2,4-Diselenadiphosphetane, 2,4-diphenyl-, 2,4-diselenide | E7878

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Shipped In

Wet ice

Overview

Product Description

Woollins' Reagent is a reagent involved in reactions with benzoic hydrazides to yield spiro heterocycles, secondary amines, aromatic diols to yield 10-membered phosphorus-selenium heterocycles, and ring-opening deselenation and phosphorus-phosphorus coupling.

Specifications

Synonyms

2, 4-Diphenyl-1, 3, 2, 4-diselenadiphosphetane 2, 4-diselenide | 2, 4-diphenyl-2, 4-bis(selanylidene)-1, 3, 2lambda5, 4lambda5-diselenadiphosphetane | DTXSID60407970 | UNII-75551CT912 | J-004752 | 1, 3, 2, 4-Diselenadiphosphetane, 2, 4-diphenyl-, 2, 4-diselenide | E7878

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)P2(=[Se])[Se]P(=[Se])([Se]2)C3=CC=CC=C3
• IUPAC Name: 2,4-diphenyl-2,4-bis(selanylidene)-1,3,2λ5,4λ5-diselenadiphosphetane
• InChIKey: GKYFQRQKPYPLGJ-UHFFFAOYSA-N
• INCHI: 1S/C12H10P2Se4/c15-13(11-7-3-1-4-8-11)17-14(16,18-13)12-9-5-2-6-10-12/h1-10H
• Isomeric SMILES: C1=CC=C(C=C1)P2(=[Se])[Se]P(=[Se])([Se]2)C3=CC=CC=C3
• WGK Germany: 3
• PubChem CID: 5066075
• UN Number: 3283
• Packing Group: III
• Molecular Weight: 532.00

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organophosphorus compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Hydrocarbon derivative - Organophosphorus compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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: Light sensitive;Moisture sensitive;Air Sensitive
• Melt Point(°C): 206-210° C
• Molecular Weight: 532.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 533.693 Da
• Monoisotopic Mass: 535.692 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 343.000
• 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

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