9,10-Anthracenediboronic acid bis(pinacol) ester - ≥97% , CAS No.863992-56-7

CAS: 863992-56-7 Cat. No.: A124098 Peso molecular: 430.15 Número EC: 805-317-5

GRADE & PURITY ≥97%

Synonyms

9,10-ANTHRACENEDIBORONIC ACID BIS(PINACOL) ESTER | SCHEMBL2018549 | 4,4,5,5-TETRAMETHYL-2-[10-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANTHRACEN-9-YL]-1,3,2-DIOXABOROLANE | 9,10-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolanyl)anthracene | Anthracene-9,10

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

General description：

9,10-Anthracenediboronic acid bis(pinacol) ester is an anthracene based ester that has a conjugated structure. It is an electron rich building block that can be used as an electron donating molecule in the formation of donor-acceptor based organic semiconductor devices. Its planarity and rigid molecular structure allow it to have good charge transporting properties.

application：

9,10-Anthracenediboronic acid bis(pinacol) ester can be used in the synthesis of polyarylpyrazolines, which can further be utilized in the preparation of organic light emitting diodes (OLEDs).

Specifications

Sinónimos

9, 10-ANTHRACENEDIBORONIC ACID BIS(PINACOL) ESTER | SCHEMBL2018549 | 4, 4, 5, 5-TETRAMETHYL-2-[10-(4, 4, 5, 5-TETRAMETHYL-1, 3, 2-DIOXABOROLAN-2-YL)ANTHRACEN-9-YL]-1, 3, 2-DIOXABOROLANE | 9, 10-bis(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolanyl)anthracene | Anthracene-9, 10

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488201839
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201839
• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC=CC3=C(C4=CC=CC=C24)B5OC(C(O5)(C)C)(C)C
• IUPAC Name: 4,4,5,5-tetramethyl-2-[10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]-1,3,2-dioxaborolane
• InChIKey: ZLXSWNVYGSZXOP-UHFFFAOYSA-N
• INCHI: 1S/C26H32B2O4/c1-23(2)24(3,4)30-27(29-23)21-17-13-9-11-15-19(17)22(20-16-12-10-14-18(20)21)28-31-25(5,6)26(7,8)32-28/h9-16H,1-8H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC=CC3=C(C4=CC=CC=C24)B5OC(C(O5)(C)C)(C)C
• WGK Alemania: 3
• Peso molecular: 430.15
• Reaxy-Rn: 10113641
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10113641&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Anthracenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenes
• Alternative Parents: Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Anthracene - 1,3,2-dioxaborolane - Boronic acid ester - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): >300°C
• Peso molecular: 430.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 430.249 Da
• Monoisotopic Mass: 430.249 Da
• Topological Polar Surface Area: 36.900 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 605.000
• 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

XLogP3

Referencias

1. Shuoran Chen, Fuming Chen, Pengju Han, Changqing Ye, Suqin Huang, Lei Xu, Xiaomei Wang, Yanlin Song.  (2019)  A stimuli responsive triplet–triplet annihilation upconversion system and its application as a ratiometric sensor for Fe3+ ions.  RSC Advances,  9  (62): (36410-36415).  [PMID:35540611] [10.1039/C9RA06524E]