4-(2-Ethoxy-2-oxoethoxy)phenylboronsäure, Pinacol-Ester - ≥97% , CAS No.269410-28-8

CAS: 269410-28-8 Cat. No.: E183325 Summenformel: C₁₆H₂₃BO₅ Molekulargewicht: 306.2

GRADE & PURITY ≥97%

Synonyms

Ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetate | IWVRBFCAALMWBP-UHFFFAOYSA-N | 4-(ETHOXYCARBONYL)METHOXYPHENYLBORONIC ACID, PINACOL ESTER | AB25726 | AKOS015960121 | 4-(2-Ethoxy-2-oxoethoxy)phenylboronic acid, pinacol ester | 4-(2

Storage

Raumtemperatur

Shipped In

Normal

Specifications

Synonyme

Ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetate | IWVRBFCAALMWBP-UHFFFAOYSA-N | 4-(ETHOXYCARBONYL)METHOXYPHENYLBORONIC ACID, PINACOL ESTER | AB25726 | AKOS015960121 | 4-(2-Ethoxy-2-oxoethoxy)phenylboronic acid, pinacol ester | 4-(2

Spezifikationen & Reinheit

≥97%

Storage

Raumtemperatur

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OCC(=O)OCC

IUPAC Name

ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetate

InChIKey

IWVRBFCAALMWBP-UHFFFAOYSA-N

INCHI

1S/C16H23BO5/c1-6-19-14(18)11-20-13-9-7-12(8-10-13)17-21-15(2,3)16(4,5)22-17/h7-10H,6,11H2,1-5H3

Isomere SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OCC(=O)OCC

Molekulargewicht

306.2

Reaxy-Rn

11406698

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11406698&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Phenoxyacetic acid derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxyacetic acid derivatives
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Dioxaborolanes Boronic acid esters Carboxylic acid esters Oxacyclic compounds Organic metalloid salts Monocarboxylic acids and derivatives Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxyacetate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organic metalloid salt - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic metalloid moeity - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 306.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 306.164 Da
• Monoisotopic Mass: 306.164 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 22
• 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

XLogP3

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% 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 269410-28-8, the molecular formula is C16H23BO5, and the molecular weight is 306.2 g/mol. InChIKey IWVRBFCAALMWBP-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.