5-(t-Butyldimethylsilyloxy)-2,3-difluorophenylboronic acid, pinacol ester - ≥98% , CAS No.1150271-62-7

CAS: 1150271-62-7 Cat. No.: T179670 Peso molecular: 370.3 PubChem CID: 46739355

GRADE & PURITY ≥98%

Synonyms

5-(T-Butyldimethylsilyloxy)-2,3-Difluorophenylboronicacidpinacolester | 5-(t-Butyldimethylsilyloxy)-2,3-difluorophenylboronic acid, pinacol ester | tert-Butyl(3,4-difluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)dimethylsilane | AKOS0252935

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

5-(T-Butyldimethylsilyloxy)-2, 3-Difluorophenylboronicacidpinacolester | 5-(t-Butyldimethylsilyloxy)-2, 3-difluorophenylboronic acid, pinacol ester | tert-Butyl(3, 4-difluoro-5-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)phenoxy)dimethylsilane | AKOS0252935

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2F)F)O[Si](C)(C)C(C)(C)C
• IUPAC Name: tert-butyl-[3,4-difluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane
• InChIKey: SYSZKZKYIDNJBD-UHFFFAOYSA-N
• INCHI: 1S/C18H29BF2O3Si/c1-16(2,3)25(8,9)22-12-10-13(15(21)14(20)11-12)19-23-17(4,5)18(6,7)24-19/h10-11H,1-9H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2F)F)O[Si](C)(C)C(C)(C)C
• PubChem CID: 46739355
• Peso molecular: 370.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenoxy compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenoxy compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxy compounds
• Alternative Parents: Fluorobenzenes Aryl fluorides Trialkylheterosilanes Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Trialkylheterosilane - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Organoheterosilane - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organosilicon compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic metalloid moeity - Organofluoride - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy 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

Propiedades químicas y físicas

• Peso molecular: 370.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 370.195 Da
• Monoisotopic Mass: 370.195 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 477.000
• 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