6-Ethoxy-3-pyridinylboronic acid(contains varying amounts of Anhydride) - ≥98% , CAS No.612845-44-0

CAS: 612845-44-0 Cat. No.: E121799 Peso molecular: 166.97 Beilstein Registry Number: 9388808 Número EC: 676-618-5

GRADE & PURITY ≥98%

Synonyms

A833146 | E1115 | AS-18747 | 2-Pentene, 4-methyl-cis- | MFCD06201032 | 6-ethoxypyridin-3-ylboronic acid | (6-ethoxy-3-pyridyl)boronic acid;(6-Ethoxypyridin-3-yl)boronic acid | AM20070149 | DTXSID10475801 | (6-ethoxypyridin-3-yl)boronic acid | 6-Ethoxy-3-p

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

application：

Reactant for:

Domino rhodium-catalyzed alkyne arylation/palladium-catalyzed N arylation

Identification of 2-(4-pyridyl)thienopyridinones as GSK-3β inhibitors

Suzuki coupling

Preparation of heterobiaryls by Suzuki-Miyaura cross-coupling reaction with aryl or heteroaryl halides catalyzed by a palladium precatalyst and monophosphine ligand

Suzuki cross-coupling reactions to yield heteroarylpyridines

Specifications

Sinónimos

A833146 | E1115 | AS-18747 | 2-Pentene, 4-methyl-cis- | MFCD06201032 | 6-ethoxypyridin-3-ylboronic acid | (6-ethoxy-3-pyridyl)boronic acid;(6-Ethoxypyridin-3-yl)boronic acid | AM20070149 | DTXSID10475801 | (6-ethoxypyridin-3-yl)boronic acid | 6-Ethoxy-3-p

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504766885
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766885
• Sonrisas canónicas: B(C1=CN=C(C=C1)OCC)(O)O
• IUPAC Name: (6-ethoxypyridin-3-yl)boronic acid
• InChIKey: UONCERAQKBPLML-UHFFFAOYSA-N
• INCHI: 1S/C7H10BNO3/c1-2-12-7-4-3-6(5-9-7)8(10)11/h3-5,10-11H,2H2,1H3
• Isómeros SMILES: B(C1=CN=C(C=C1)OCC)(O)O
• WGK Alemania: 3
• Peso molecular: 166.97
• Beilstein: 9388808
• Reaxy-Rn: 9388808
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9388808&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Pyridine - Heteroaromatic compound - Boronic acid - Boronic acid derivative - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic metalloid moeity - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl 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

Objetivos asociados (humanos)

KB (17409 Activities)

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

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

• Punto de fusión (°C): 102-104°C
• Peso molecular: 166.970 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 167.075 Da
• Monoisotopic Mass: 167.075 Da
• Topological Polar Surface Area: 62.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 134.000
• 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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