2-(tert-Butyldimethylsilyloxy)naphthalene-6-boronic acid(contains varying amounts of Anhydride) - ≥95% , CAS No.179942-45-1

CAS: 179942-45-1 Cat. No.: I168021 Peso molecular: 302.25 Número EC: 694-004-5

GRADE & PURITY ≥95%

Synonyms

6-(tert-butyl-dimethyl-silanyloxy)-naphthalen-2-yl-boronic acid | A881194 | [6-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]boronic acid | MFCD04115644 | 6-T-BUTYLDIMETHYLSILYLOXY-2-NAPHTHYLENEBORONIC ACID | QJXUSWJSQVIBCP-UHFFFAOYSA-N | FT-0688882 | C16

Storage

Room temperature

Shipped In

Normal

Descripción general

Reactant for room temperature trifluoromethylation via copper catalyzed oxidative cross-coupling.

Specifications

Sinónimos

6-(tert-butyl-dimethyl-silanyloxy)-naphthalen-2-yl-boronic acid | A881194 | [6-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]boronic acid | MFCD04115644 | 6-T-BUTYLDIMETHYLSILYLOXY-2-NAPHTHYLENEBORONIC ACID | QJXUSWJSQVIBCP-UHFFFAOYSA-N | FT-0688882 | C16

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488194547
• Sonrisas canónicas: B(C1=CC2=C(C=C1)C=C(C=C2)O[Si](C)(C)C(C)(C)C)(O)O
• IUPAC Name: [6-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]boronic acid
• InChIKey: QJXUSWJSQVIBCP-UHFFFAOYSA-N
• INCHI: 1S/C16H23BO3Si/c1-16(2,3)21(4,5)20-15-9-7-12-10-14(17(18)19)8-6-13(12)11-15/h6-11,18-19H,1-5H3
• Isómeros SMILES: B(C1=CC2=C(C=C1)C=C(C=C2)O[Si](C)(C)C(C)(C)C)(O)O
• WGK Alemania: 3
• Peso molecular: 302.25
• Reaxy-Rn: 10091663
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10091663&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Trialkylheterosilanes Boronic acids Organic metalloid salts Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Trialkylheterosilane - Boronic acid - Boronic acid derivative - Organoheterosilane - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organosilicon compound - Organooxygen compound - Organic metalloid moeity - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two 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

• Peso molecular: 302.200 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 302.151 Da
• Monoisotopic Mass: 302.151 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 354.000
• 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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