4,4,5,5-Tetramethyl-2-(4-(naphthalen-2-yl)phenyl)-1,3,2-dioxaborolane - ≥98% , CAS No.1092390-02-7

CAS: 1092390-02-7 Cat. No.: T290833 Molecular Weight: 330.24 PubChem CID: 46739726

GRADE & PURITY ≥98%

Synonyms

4-(naphthalene-2-yl)phenyl boronic acid pinacol ester | DTXSID00675313 | 4,4,5,5-tetramethyl-2-[4-(2-naphthalenyl)phenyl]-1,3,2-Dioxaborolane | 4-(NAPHTHALENE-2-YL)PHENYLBORONIC ACID PINACOL ESTER | MFCD09800562 | SY128749 | 4-(2-Naphthyl)phenylboronic Ac

Storage

Room temperature

Specifications

Synonyms

4-(naphthalene-2-yl)phenyl boronic acid pinacol ester | DTXSID00675313 | 4, 4, 5, 5-tetramethyl-2-[4-(2-naphthalenyl)phenyl]-1, 3, 2-Dioxaborolane | 4-(NAPHTHALENE-2-YL)PHENYLBORONIC ACID PINACOL ESTER | MFCD09800562 | SY128749 | 4-(2-Naphthyl)phenylboronic Ac

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488201352
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201352
• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=CC4=CC=CC=C4C=C3
• IUPAC Name: 4,4,5,5-tetramethyl-2-(4-naphthalen-2-ylphenyl)-1,3,2-dioxaborolane
• InChIKey: ZSLFLUWKJNMNEH-UHFFFAOYSA-N
• INCHI: 1S/C22H23BO2/c1-21(2)22(3,4)25-23(24-21)20-13-11-17(12-14-20)19-10-9-16-7-5-6-8-18(16)15-19/h5-15H,1-4H3
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=CC4=CC=CC=C4C=C3
• PubChem CID: 46739726
• Molecular Weight: 330.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Phenylnaphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Phenylnaphthalenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylnaphthalenes
• Alternative Parents: Benzene and substituted derivatives Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylnaphthalene - Monocyclic benzene moiety - 1,3,2-dioxaborolane - Boronic acid ester - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylnaphthalenes. These are compounds containing a phenylnaphthalene skeleton, which consists of a naphthalene bound to a phenyl 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

Associated Targets(Human)

LPL Tchem Lipoprotein lipase (101 Activities)

Discover Target: LPL

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 330.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 330.179 Da
• Monoisotopic Mass: 330.179 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 451.000
• 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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