4-(Furfurylaminocarbonyl)phenylboronic acid pinacol ester - ≥97% , CAS No.1073353-59-9

CAS: 1073353-59-9 Cat. No.: F165781 Peso molecular: 327.18 Número EC: 806-659-8

GRADE & PURITY ≥97%

Synonyms

[4-(Furfurylamino-1-carbonyl)phenyl]-boronic acid pinacol ester | 4-(Furfurylaminocarbonyl)benzeneboronic acid pinacol ester | 1073353-59-9 | N-[(Furan-2-yl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide | E78170 | AKOS016339759 | MFCD09

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

[4-(Furfurylamino-1-carbonyl)phenyl]-boronic acid pinacol ester | 4-(Furfurylaminocarbonyl)benzeneboronic acid pinacol ester | 1073353-59-9 | N-[(Furan-2-yl)methyl]-4-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)benzamide | E78170 | AKOS016339759 | MFCD09

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504770755
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770755
• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)NCC3=CC=CO3
• IUPAC Name: N-(furan-2-ylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
• InChIKey: ZNYVQYJVECCENX-UHFFFAOYSA-N
• INCHI: 1S/C18H22BNO4/c1-17(2)18(3,4)24-19(23-17)14-9-7-13(8-10-14)16(21)20-12-15-6-5-11-22-15/h5-11H,12H2,1-4H3,(H,20,21)
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)NCC3=CC=CO3
• WGK Alemania: 2
• Peso molecular: 327.18
• Reaxy-Rn: 14515327
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14515327&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: Benzoyl derivatives Heteroaromatic compounds Furans Dioxaborolanes Boronic acid esters Secondary carboxylic acid amides Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzamide - Benzoyl - Boronic acid ester - Heteroaromatic compound - 1,3,2-dioxaborolane - Furan - Boronic acid derivative - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic metalloid moeity - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to 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

Propiedades químicas y físicas

• Punto de fusión (°C): 107-113°C
• Peso molecular: 327.200 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 327.164 Da
• Monoisotopic Mass: 327.164 Da
• Topological Polar Surface Area: 60.700 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 444.000
• 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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