PhenN O-PC™ B0301 - New Iridium, ≥97% , CAS No.1934269-97-2

CAS: 1934269-97-2 Cat. No.: P485532 Formula: C₃₂H₂₂N₂ Molecular Weight: 434.53 EC Number: 111-044-6 PubChem CID: 20767396

GRADE & PURITY New Iridium, ≥97%

Synonyms

Miyake polymerization organophotoredox catalyst, 5,10-Di(2-Naphthyl)-5,10-dihydrophenazine, PhenN_2Naph

Storage

Room temperature

Overview

Description

This dihydrophenazine-based organic photoredox catalyst (in addition to the dihydrophenazine catalyst901111) was designed to be a strong excited-state reductant and possesses advanced photophysical and electrochemical properties, enabling it to serve as a sustainable replacement for ruthenium- or iridium-based photoredox catalysts. For example, dihydrophenazine and phenoxazine derivatives were demonstrated to replace ruthenium or iridium complexes in the application of photoredox-catalyzed atom transfer radical polymerization (ATRP) for controlled polymer synthesis and small molecule transformations such as trifluoromethylation, atom transfer radical addition, and dual Nickel/photoredox catalyzed C-N and C-S cross-couplings. Dihydrophenazine- and phenoxazine-based organic photoredox catalysts were introduced in collaboration with theMiyakeResearch Group.

Specifications

Synonyms

Miyake polymerization organophotoredox catalyst, 5,10-Di(2-Naphthyl)-5,10-dihydrophenazine, PhenN_2Naph

Specifications & Purity

New Iridium, ≥97%

Legal Information

专利申请PCT/US2016/058245。与New Iridium Inc.合作销售。对于大于25克的订单，请通过[email protected]联系New Iridium，或访问https://www.newiridium.com。PhenN O-PC is a trademark of New Iridium Inc.Phenox O-PC is a trademark of New Iridium LLC

Storage

Room temperature

Names and Identifiers

Canonical Smiles

C1=CC=C2C=C(C=CC2=C1)N3C4=CC=CC=C4N(C5=CC=CC=C53)C6=CC7=CC=CC=C7C=C6

IUPAC Name

5,10-dinaphthalen-2-ylphenazine

InChIKey

HPIOBCHPZVAATK-UHFFFAOYSA-N

INCHI

1S/C32H22N2/c1-3-11-25-21-27(19-17-23(25)9-1)33-29-13-5-7-15-31(29)34(32-16-8-6-14-30(32)33)28-20-18-24-10-2-4-12-26(24)22-28/h1-22H

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)N3C4=CC=CC=C4N(C5=CC=CC=C53)C6=CC7=CC=CC=C7C=C6

PubChem CID

20767396

Molecular Weight

434.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Triarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Triarylamines
• Alternative Parents: Phenazines and derivatives Naphthalenes Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tertiary aromatic amine - Phenazine - Naphthalene - Benzenoid - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as triarylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three aryl groups bonded to the amino nitrogen.
• 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

• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Molecular Weight: 434.500 g/mol
• XLogP3: 8.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 434.178 Da
• Monoisotopic Mass: 434.178 Da
• Topological Polar Surface Area: 6.500 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 608.000
• 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

How should this product be stored?

Store at room temperature.

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

The CAS Number is 1934269-97-2, the molecular formula is C32H22N2, and the molecular weight is 434.53 g/mol. InChIKey HPIOBCHPZVAATK-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.