4-((4-Methoxyphenylimino)methyl)phenylboronic acid pinacol ester - ≥95% , CAS No.871366-38-0

CAS: 871366-38-0 Cat. No.: M187392 Molecular Weight: 337.2 EC Number: 805-312-8

GRADE & PURITY ≥95%

Synonyms

(1E)-N-(4-methoxyphenyl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine | A915661 | MFCD10567027 | F87532 | (E)-N-(4-Methoxyphenyl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine | 4-[(4-Methoxyphenylimino)methy

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(1E)-N-(4-methoxyphenyl)-1-[4-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)phenyl]methanimine | A915661 | MFCD10567027 | F87532 | (E)-N-(4-Methoxyphenyl)-1-[4-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)phenyl]methanimine | 4-[(4-Methoxyphenylimino)methy

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C=NC3=CC=C(C=C3)OC
• IUPAC Name: N-(4-methoxyphenyl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine
• InChIKey: FEZZNCDZVGVBHZ-UHFFFAOYSA-N
• INCHI: 1S/C20H24BNO3/c1-19(2)20(3,4)25-21(24-19)16-8-6-15(7-9-16)14-22-17-10-12-18(23-5)13-11-17/h6-14H,1-5H3
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C=NC3=CC=C(C=C3)OC
• WGK Germany: 3
• Molecular Weight: 337.2
• Reaxy-Rn: 37564169
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37564169&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyanilines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Dioxaborolanes Boronic acid esters Shiff bases Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic metalloid salts Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methoxyaniline - Anisole - Phenol ether - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Shiff base - Oxacycle - Aldimine - Organic metalloid salt - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Imine - Organic metalloid moeity - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methoxyanilines. These are organic compound containing an aniline group substituted at one or more positions by a methoxy 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

Chemical and Physical Properties

• Molecular Weight: 337.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 337.185 Da
• Monoisotopic Mass: 337.185 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 448.000
• 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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