2-Ethylpyridine-4-boronic acid pinacol ester - ≥95% , CAS No.741709-60-4

CAS: 741709-60-4 Cat. No.: E186355 Formula: C₁₃H₂₀BNO₂ Peso molecolare: 233.1 Numero EC: 854-158-8

GRADE & PURITY ≥95%

Synonyms

(2-Ethylpyridin-4-yl)boronic acid pinacol ester | MB08252 | J-509319 | Pyridine, 2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- | AKOS015947481 | DTXSID70671327 | A850672 | MFCD09952046 | 2-Ethylpyridine-4-boronic acid pinacol ester | 2-ethyl-4-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

(2-Ethylpyridin-4-yl)boronic acid pinacol ester | MB08252 | J-509319 | Pyridine, 2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- | AKOS015947481 | DTXSID70671327 | A850672 | MFCD09952046 | 2-Ethylpyridine-4-boronic acid pinacol ester | 2-ethyl-4-

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)CC

IUPAC Name

2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

InChIKey

YYJPHWDHDLLAJH-UHFFFAOYSA-N

INCHI

1S/C13H20BNO2/c1-6-11-9-10(7-8-15-11)14-16-12(2,3)13(4,5)17-14/h7-9H,6H2,1-5H3

Isomeri SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)CC

Peso molecolare

233.1

Reaxy-Rn

20728054

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20728054&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - 1,3,2-dioxaborolane - Boronic acid ester - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 233.120 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 233.159 Da
• Monoisotopic Mass: 233.159 Da
• Topological Polar Surface Area: 31.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 265.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 741709-60-4, the molecular formula is C13H20BNO2, and the molecular weight is 233.1 g/mol. InChIKey YYJPHWDHDLLAJH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.