ácido 3-(metoxicarbamoil)fenilborónico - ≥97% , CAS No.850567-26-9

CAS: 850567-26-9 Cat. No.: M186993 Peso molecular: 194.98 Número EC: 640-439-0

GRADE & PURITY ≥97%

Synonyms

(3-(Methoxycarbamoyl)phenyl)boronic acid | DS-17410 | [3-(methoxycarbamoyl)phenyl]boronic acid | 3-(METHYLOXYAMINOCARBONYL)PHENYLBORONIC ACID | C76723 | FT-0690549 | (3-(Methoxycarbamoyl)phenyl)boronicacid | 3-(Methoxycarbamoyl)phenylboronic acid | DTXSID

Storage

Temperatura ambiente

Shipped In

Normal

Descripción general

El ácido benceno borónico mediaba la hidroxialquilación ortoespecífica de fenoles por aldehídos. La capacidad de los ácidos borónicos para unirse reversiblemente a grupos funcionales diol se ha utilizado para la detección fluorescente de sacáridos. Puede ser un catalizador eficaz para la amidación y esterificación de ácidos carboxílicos.

Specifications

Sinónimos

(3-(Methoxycarbamoyl)phenyl)boronic acid | DS-17410 | [3-(methoxycarbamoyl)phenyl]boronic acid | 3-(METHYLOXYAMINOCARBONYL)PHENYLBORONIC ACID | C76723 | FT-0690549 | (3-(Methoxycarbamoyl)phenyl)boronicacid | 3-(Methoxycarbamoyl)phenylboronic acid | DTXSID

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488200935
• Sonrisas canónicas: B(C1=CC(=CC=C1)C(=O)NOC)(O)O
• IUPAC Name: [3-(methoxycarbamoyl)phenyl]boronic acid
• InChIKey: NDJZQOMZZXSXEM-UHFFFAOYSA-N
• INCHI: 1S/C8H10BNO4/c1-14-10-8(11)6-3-2-4-7(5-6)9(12)13/h2-5,12-13H,1H3,(H,10,11)
• Isómeros SMILES: B(C1=CC(=CC=C1)C(=O)NOC)(O)O
• Peso molecular: 194.98
• Reaxy-Rn: 19132406
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19132406&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: Benzoic acids and derivatives
• Alternative Parents: Benzoyl derivatives Boronic acids Organic metalloid salts Carboxylic acids and derivatives Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid or derivatives - Benzoyl - Boronic acid - Boronic acid derivative - Organic metalloid salt - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid 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

• Solubilidad: Slightly soluble in water.
• Peso molecular: 194.980 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 195.07 Da
• Monoisotopic Mass: 195.07 Da
• Topological Polar Surface Area: 78.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 200.000
• 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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