7-Methoxyquinoline-4-boronic acid pinacol ester - ≥95% , CAS No.1207894-59-4

CAS: 1207894-59-4 Cat. No.: M180112 Peso molecular: 285.1

GRADE & PURITY ≥95%

Synonyms

7-Methoxy-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)quinoline | A892057 | SB71605 | 7-Methoxyquinoline-4-boronic acid pinacol ester | DTXSID70590625 | MFCD08436995 | AS-48813 | 7-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline | FD1

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

7-Methoxy-4-(4, 4, 5, 5-tetramethyl-[1, 3, 2]dioxaborolan-2-yl)quinoline | A892057 | SB71605 | 7-Methoxyquinoline-4-boronic acid pinacol ester | DTXSID70590625 | MFCD08436995 | AS-48813 | 7-Methoxy-4-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)quinoline | FD1

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC(=CC3=NC=C2)OC
• IUPAC Name: 7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
• InChIKey: WMOLQNJQKPQXEE-UHFFFAOYSA-N
• INCHI: 1S/C16H20BNO3/c1-15(2)16(3,4)21-17(20-15)13-8-9-18-14-10-11(19-5)6-7-12(13)14/h6-10H,1-5H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC(=CC3=NC=C2)OC
• Peso molecular: 285.1
• Reaxy-Rn: 38806714
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38806714&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Anisoles Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Anisole - Alkyl aryl ether - Pyridine - Benzenoid - Boronic acid ester - 1,3,2-dioxaborolane - Heteroaromatic compound - Boronic acid derivative - Ether - Organic metalloid salt - Azacycle - Oxacycle - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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: 285.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 285.154 Da
• Monoisotopic Mass: 285.154 Da
• Topological Polar Surface Area: 40.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 372.000
• 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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