2,6-Dimethylphenylboronic Acid (contains varying amounts of Anhydride) - ≥98% , CAS No.100379-00-8

CAS: 100379-00-8 Cat. No.: D120530 Peso molecular: 149.98 Número EC: 600-084-4

GRADE & PURITY ≥98%

Synonyms

2,6-Dimethylphenylboronic acid, >=95.0% | NCGC00015830-01 | (2,6-Dimethlphenyl)borate | AKOS000278423 | HY-W002725 | Boronic acid, (2,6-dimethylphenyl)- | GS-6707 | AC-24790 | 2,6-dimethyl phenylboronic acid | AKOS BRN-0223 | BCP9000266 | 2,6-XYLENEBORONI

Storage

Room temperature

Shipped In

Normal

Descripción general

Reagent used for： Palladium catalyzed Suzuki-Miyaura coupling reactions One-pot ipso-nitration of arylboronic acids including broader substrate scope of heterocycles and functional groups Nickel-Catalyzed Cross-Coupling of Chromene Acetals and Boronic Acids Visible-light initiated aerobic oxidative hydroxylation catalyzed by Ru-complex Rhodium(I)-catalyzed 1,4-addition reactions Pd-catalyzed homocouplings Expanded scope of Cu assisted Suzuki-Miyaura coupling reactions including aryl chlorides and polyhalo aryl boronates Reagent used in Prepration of： Orally bioavialable G Protein-Coupled Receptor 40 agonists for diabetes treatment Solid phase synthesis and antitumor structure-activity relationship of Smac triazoloprolines and biarylalanines tetrapeptide libraries Protein Kinase inhibitors

Specifications

Sinónimos

2, 6-Dimethylphenylboronic acid, >=95.0% | NCGC00015830-01 | (2, 6-Dimethlphenyl)borate | AKOS000278423 | HY-W002725 | Boronic acid, (2, 6-dimethylphenyl)- | GS-6707 | AC-24790 | 2, 6-dimethyl phenylboronic acid | AKOS BRN-0223 | BCP9000266 | 2, 6-XYLENEBORONI

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504759362
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759362
• Sonrisas canónicas: B(C1=C(C=CC=C1C)C)(O)O
• IUPAC Name: (2,6-dimethylphenyl)boronic acid
• InChIKey: ZXDTWWZIHJEZOG-UHFFFAOYSA-N
• INCHI: 1S/C8H11BO2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5,10-11H,1-2H3
• Isómeros SMILES: B(C1=C(C=CC=C1C)C)(O)O
• WGK Alemania: 3
• Peso molecular: 149.98
• Reaxy-Rn: 2964088
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2964088&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: m-Xylenes
• Alternative Parents: Boronic acids Organic metalloid salts Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-xylene - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organoboron compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as m-xylenes. These are aromatic compounds that contain a m-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 3-positions.
• 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

Objetivos asociados (no humanos)

Staphylococcus aureus (210822 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in methanol.
• Punto de fusión (°C): 120-126°C
• Peso molecular: 149.980 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 150.085 Da
• Monoisotopic Mass: 150.085 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 117.000
• 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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