3-Ethoxy-5-methylphenylboronic acid, pinacol ester - ≥95% , CAS No.1218789-71-9

CAS: 1218789-71-9 Cat. No.: E180331 Summenformel: C₁₅H₂₃BO₃ Molekulargewicht: 262.2 PubChem CID: 46739695

GRADE & PURITY ≥95%

Synonyms

1218789-71-9 | AKOS016004633 | 2-(3-Ethoxy-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | 3-Ethoxy-5-methylphenylboronic acid, pinacol ester | AT17003 | BS-21119 | 3-Ethoxy-5-methylphenylboronic acid pinacol ester | DTXSID30675285 | MFCD1254660

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

1218789-71-9 | AKOS016004633 | 2-(3-Ethoxy-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | 3-Ethoxy-5-methylphenylboronic acid, pinacol ester | AT17003 | BS-21119 | 3-Ethoxy-5-methylphenylboronic acid pinacol ester | DTXSID30675285 | MFCD1254660

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

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

IUPAC Name

2-(3-ethoxy-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChIKey

VBCLFQLYUBDJKX-UHFFFAOYSA-N

INCHI

1S/C15H23BO3/c1-7-17-13-9-11(2)8-12(10-13)16-18-14(3,4)15(5,6)19-16/h8-10H,7H2,1-6H3

Isomere SMILES

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

PubChem CID

46739695

Molekulargewicht

262.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Toluenes Alkyl aryl ethers Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Ether - Hydrocarbon derivative - Organic oxygen compound - Organic metalloid moeity - Organooxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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: 262.150 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 262.174 Da
• Monoisotopic Mass: 262.174 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 301.000
• 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