6-Quinolineboronic acid pinacol ester - ≥98% , CAS No.406463-06-7

CAS: 406463-06-7 Cat. No.: Q303671 Molecular Weight: 255.13 EC Number: 626-249-0 PubChem CID: 16217784

GRADE & PURITY ≥98%

Synonyms

6-Quinolineboronic acid pinacol ester | SCHEMBL418496 | DTXSID30584560 | A873260 | Quinoline-6-boronic acid,pinacol ester | T3507 | Quinoline-6-boronic acid pinacol ester | 6-Quinolylboronic acid pinacol ester | VMFALDWCEQUFSX-UHFFFAOYSA-N | 6-(4,4,5,5-te

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

6-Quinolineboronic acid pinacol ester | SCHEMBL418496 | DTXSID30584560 | A873260 | Quinoline-6-boronic acid, pinacol ester | T3507 | Quinoline-6-boronic acid pinacol ester | 6-Quinolylboronic acid pinacol ester | VMFALDWCEQUFSX-UHFFFAOYSA-N | 6-(4, 4, 5, 5-te

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504768283
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768283
• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=CC=C3
• IUPAC Name: 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
• InChIKey: VMFALDWCEQUFSX-UHFFFAOYSA-N
• INCHI: 1S/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)12-7-8-13-11(10-12)6-5-9-17-13/h5-10H,1-4H3
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=CC=C3
• PubChem CID: 16217784
• Molecular Weight: 255.13

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Pyridines and derivatives Benzenoids Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoboron compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Pyridine - Benzenoid - Boronic acid ester - 1,3,2-dioxaborolane - Heteroaromatic compound - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoboron compound - Organopnictogen compound - Organic nitrogen compound - Organic salt - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Flash Point(°C): 187.5ºC
• Boil Point(°C): 386.5ºC
• Melt Point(°C): 62-66ºC
• Molecular Weight: 255.120 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 255.143 Da
• Monoisotopic Mass: 255.143 Da
• Topological Polar Surface Area: 31.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 329.000
• 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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