4-(4-Furfuryliminomethyl)benzeneboronic acid pinacol ester - ≥97% , CAS No.1218790-46-5

CAS: 1218790-46-5 Cat. No.: F357847 Molecular Weight: 311.18 EC Number: 806-535-3 PubChem CID: 46739747

GRADE & PURITY ≥97%

Synonyms

DTXSID40675332 | J-004695 | 4-(4-Furfuryl)iminomethyl phenyl boronic acid pinacol ester | AS-2345 | AKOS016339716 | (E)-1-(Furan-2-yl)-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylidene)methanamine | (E)-n-(Furan-2-ylmethyl)-1-(4-(4,4,5,5-tetra

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID40675332 | J-004695 | 4-(4-Furfuryl)iminomethyl phenyl boronic acid pinacol ester | AS-2345 | AKOS016339716 | (E)-1-(Furan-2-yl)-N-(4-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)benzylidene)methanamine | (E)-n-(Furan-2-ylmethyl)-1-(4-(4, 4, 5, 5-tetra

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488201353
• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C=NCC3=CC=CO3
• IUPAC Name: N-(furan-2-ylmethyl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine
• InChIKey: IIAOBOBJQMILAT-UHFFFAOYSA-N
• INCHI: 1S/C18H22BNO3/c1-17(2)18(3,4)23-19(22-17)15-9-7-14(8-10-15)12-20-13-16-6-5-11-21-16/h5-12H,13H2,1-4H3
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C=NCC3=CC=CO3
• PubChem CID: 46739747
• Molecular Weight: 311.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Heteroaromatic compounds Furans Dioxaborolanes Boronic acid esters Shiff bases Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Boronic acid ester - Heteroaromatic compound - 1,3,2-dioxaborolane - Furan - Boronic acid derivative - Shiff base - Aldimine - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Imine - Organic nitrogen compound - Organic metalloid moeity - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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: 311.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 311.169 Da
• Monoisotopic Mass: 311.169 Da
• Topological Polar Surface Area: 44.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 414.000
• 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