4-Amino-3-methoxycarbonylphenylboronic Acid Pinacol Ester - ≥97% , CAS No.363185-87-9

CAS: 363185-87-9 Cat. No.: M679032 Peso molecular: 277.13 Número EC: 892-841-2 PubChem CID: 45790067

GRADE & PURITY ≥97%

Synonyms

2-AMino-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzoicacidMethylester | Methyl2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

2-AMino-5-(4, 4, 5, 5-tetraMethyl-1, 3, 2-dioxaborolan-2-yl)benzoicacidMethylester | Methyl2-amino-5-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)N)C(=O)OC
• IUPAC Name: methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
• InChIKey: DQZPCTKBZUCRNT-UHFFFAOYSA-N
• INCHI: 1S/C14H20BNO4/c1-13(2)14(3,4)20-15(19-13)9-6-7-11(16)10(8-9)12(17)18-5/h6-8H,16H2,1-5H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)N)C(=O)OC
• PubChem CID: 45790067
• Peso molecular: 277.13

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: Benzoic acid esters
• Alternative Parents: Aminobenzoic acids and derivatives Benzoyl derivatives Aniline and substituted anilines Vinylogous amides Methyl esters Dioxaborolanes Boronic acid esters Amino acids and derivatives Oxacyclic compounds Organic metalloid salts Primary amines Organooxygen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminobenzoic acid or derivatives - Benzoate ester - Benzoyl - Aniline or substituted anilines - Boronic acid ester - 1,3,2-dioxaborolane - Methyl ester - Vinylogous amide - Amino acid or derivatives - Boronic acid derivative - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Organic metalloid salt - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Primary amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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

• Peso molecular: 277.130 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 277.149 Da
• Monoisotopic Mass: 277.149 Da
• Topological Polar Surface Area: 70.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 369.000
• 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