2-Ethoxy-1-naphthaleneboronic acid - ≥96% , CAS No.148345-64-6

CAS: 148345-64-6 Cat. No.: E120542 Formule: C₁₂H₁₅BO₄ Poids moléculaire: 216.04

GRADE & PURITY ≥96%

Synonyms

2-Ethoxy-1-naphthaleneboronic acid|148345-64-6|(2-ethoxynaphthalen-1-yl)boronic acid|Boronic acid, B-(2-ethoxy-1-naphthalenyl)-|MFCD05664211|2-Ethoxynaphthalen-1-ylboronic acid|2-ETHOXY-1-NAPHTHALENEBORONICACID|SCHEMBL1642006|DTXSID50584123|QUDVXFWSKXUSMY

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Pd-catalyzed Suzuki-Miyaura reaction

Specifications

Synonymes

2-Ethoxy-1-naphthaleneboronic acid | 148345-64-6 | (2-ethoxynaphthalen-1-yl)boronic acid | Boronic acid, B-(2-ethoxy-1-naphthalenyl)- | MFCD05664211 | 2-Ethoxynaphthalen-1-ylboronic acid | 2-ETHOXY-1-NAPHTHALENEBORONICACID | SCHEMBL1642006 | DTXSID50584123 | QUDVXFWSKXUSMY

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥96%

Noms et identifiants

Pubchem Sid

504768241

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504768241

Sourires canoniques

B(C1=C(C=CC2=CC=CC=C12)OCC)(O)O

IUPAC Name

(2-ethoxynaphthalen-1-yl)boronic acid

InChIKey

QUDVXFWSKXUSMY-UHFFFAOYSA-N

INCHI

1S/C12H13BO3/c1-2-16-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15/h3-8,14-15H,2H2,1H3

Isomères SMILES

B(C1=C(C=CC2=CC=CC=C12)OCC)(O)O

WGK Allemagne

3

Poids moléculaire

216.04

Reaxy-Rn

19026841

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19026841&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Alkyl aryl ethers Boronic acids Organic metalloid salts Organoboron compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Alkyl aryl ether - Boronic acid - Boronic acid derivative - Organic metalloid salt - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organoboron compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Propriétés chimiques et physiques

• Point de fusion (°C): 102-106°C
• Poids moléculaire: 216.040 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 216.096 Da
• Monoisotopic Mass: 216.096 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 222.000
• 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

XLogP3